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1

rac-cis-N-Desmethyl Sertraline Hydrochloride, TRC

CAS: 91797-57-8 Molekylær formel: C16 H15 Cl2 N . Cl H Molekylvægt (g/mol): 328.66 Synonym: (±)-cis-N-Desmethylsertraline Hydrochloride,cis-4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydro-1-naphthalenamine hydrochloride,(±)-4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydro-1-naphthalenamine hydrochloride,rac-Norsertraline Hydrochloride IUPAC navn: (1S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride SMIL: Cl.N[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c3ccccc13

Molekylvægt (g/mol) 328.66
CAS 91797-57-8
Synonym (±)-cis-N-Desmethylsertraline Hydrochloride,cis-4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydro-1-naphthalenamine hydrochloride,(±)-4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydro-1-naphthalenamine hydrochloride,rac-Norsertraline Hydrochloride
SMIL Cl.N[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c3ccccc13
IUPAC navn (1S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
Molekylær formel C16 H15 Cl2 N . Cl H
2

(1S,4S)-N-Desmethyl Sertraline Hydrochloride, TRC

CAS: 675126-10-0 Molekylær formel: C16 H15 Cl2 N . Cl H Molekylvægt (g/mol): 328.66 Synonym: Norsertraline Hydrochloride,(1S,4S)-N-Desmethylsertraline Hydrochloride IUPAC navn: (1S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride SMIL: Cl.N[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c3ccccc13

Molekylvægt (g/mol) 328.66
CAS 675126-10-0
Synonym Norsertraline Hydrochloride,(1S,4S)-N-Desmethylsertraline Hydrochloride
SMIL Cl.N[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c3ccccc13
IUPAC navn (1S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
Molekylær formel C16 H15 Cl2 N . Cl H
3

(1R,4R)-N-Desmethyl Sertraline Hydrochloride, TRC

CAS: 675126-09-7 Molekylær formel: C16 H15 Cl2 N . Cl H Molekylvægt (g/mol): 328.66 Synonym: 1-Naphthalenamine, 4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-, hydrochloride (1:1), (1R,4R)-,1-Naphthalenamine, 4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-, hydrochloride, (1R,4R)- (9CI),(1R,4R)-4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydro-1-naphthalenamine hydrochloride,(1R,4R)-N-Desmethylsertraline hydrochloride,(1R,4R)-N-Desmethyl sertraline hydrochloride,(1R,4R)-Norsertraline hydrochloride IUPAC navn: (1R,4R)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride SMIL: Cl.N[C@@H]1CC[C@H](c2ccc(Cl)c(Cl)c2)c3ccccc13

Molekylvægt (g/mol) 328.66
CAS 675126-09-7
Synonym 1-Naphthalenamine, 4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-, hydrochloride (1:1), (1R,4R)-,1-Naphthalenamine, 4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-, hydrochloride, (1R,4R)- (9CI),(1R,4R)-4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydro-1-naphthalenamine hydrochloride,(1R,4R)-N-Desmethylsertraline hydrochloride,(1R,4R)-N-Desmethyl sertraline hydrochloride,(1R,4R)-Norsertraline hydrochloride
SMIL Cl.N[C@@H]1CC[C@H](c2ccc(Cl)c(Cl)c2)c3ccccc13
IUPAC navn (1R,4R)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
Molekylær formel C16 H15 Cl2 N . Cl H
7

β-Tetralone, 95%, Thermo Scientific Chemicals

CAS: 530-93-8 Molekylær formel: C10H10O Molekylvægt (g/mol): 146.19 MDL nummer: MFCD00001727 InChI nøgle: KCKZIWSINLBROE-UHFFFAOYSA-N Synonym: 2-tetralone,beta-tetralone,1,2,3,4-tetrahydro-2-naphthalenone,3,4-dihydronaphthalen-2 1h-one,1,2,3,4-tetrahydronaphthalen-2-one,2 1h-naphthalenone, 3,4-dihydro,.beta.-tetralone,tetralin-2-one,3,4-dihydro-2 1h-naphthalenone,3,4-dihydro-2-oxonaphthalene PubChem CID: 68266 IUPAC navn: 3,4-dihydro-lH-naphthalen-2-on SMIL: C1CC2=CC=CC=C2CC1=O

MDL nummer MFCD00001727
PubChem CID 68266
Molekylvægt (g/mol) 146.19
CAS 530-93-8
Synonym 2-tetralone,beta-tetralone,1,2,3,4-tetrahydro-2-naphthalenone,3,4-dihydronaphthalen-2 1h-one,1,2,3,4-tetrahydronaphthalen-2-one,2 1h-naphthalenone, 3,4-dihydro,.beta.-tetralone,tetralin-2-one,3,4-dihydro-2 1h-naphthalenone,3,4-dihydro-2-oxonaphthalene
SMIL C1CC2=CC=CC=C2CC1=O
IUPAC navn 3,4-dihydro-lH-naphthalen-2-on
InChI nøgle KCKZIWSINLBROE-UHFFFAOYSA-N
Molekylær formel C10H10O
8

Tamibarotene

CAS: 94497-51-5 Molekylær formel: C22H25NO3 Molekylvægt (g/mol): 351.45 MDL nummer: MFCD00866188 InChI nøgle: MUTNCGKQJGXKEM-UHFFFAOYSA-N Synonym: tamibarotene,retinobenzoic acid,4-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl carbamoyl benzoic acid,amnolake,tamibaro,amnoid,unii-08v52gz3h9,4-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl carbamoyl benzoic acid,chembl25202 PubChem CID: 108143 ChEBI: CHEBI:32181 IUPAC navn: 4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]benzoesyre SMIL: CC1(C)CCC(C)(C)C2=CC(NC(=O)C3=CC=C(C=C3)C(O)=O)=CC=C12

MDL nummer MFCD00866188
PubChem CID 108143
Molekylvægt (g/mol) 351.45
CAS 94497-51-5
ChEBI CHEBI:32181
Synonym tamibarotene,retinobenzoic acid,4-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl carbamoyl benzoic acid,amnolake,tamibaro,amnoid,unii-08v52gz3h9,4-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl carbamoyl benzoic acid,chembl25202
SMIL CC1(C)CCC(C)(C)C2=CC(NC(=O)C3=CC=C(C=C3)C(O)=O)=CC=C12
IUPAC navn 4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]benzoesyre
InChI nøgle MUTNCGKQJGXKEM-UHFFFAOYSA-N
Molekylær formel C22H25NO3
9

1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthalin, teknisk kvalitet, Thermo Scientific™

CAS: 6683-46-1 Molekylær formel: C14H20 Molekylvægt (g/mol): 188.31 MDL nummer: MFCD00052728 InChI nøgle: CCQKWSZYTOCEIB-UHFFFAOYSA-N PubChem CID: 81186 IUPAC navn: 1,1,4,4-tetramethyl-2,3-dihydronaphthalen SMIL: CC1(C)CCC(C)(C)C2=CC=CC=C12

MDL nummer MFCD00052728
PubChem CID 81186
Molekylvægt (g/mol) 188.31
CAS 6683-46-1
SMIL CC1(C)CCC(C)(C)C2=CC=CC=C12
IUPAC navn 1,1,4,4-tetramethyl-2,3-dihydronaphthalen
InChI nøgle CCQKWSZYTOCEIB-UHFFFAOYSA-N
Molekylær formel C14H20
10

6-Bromo-1-tetralone, 96%, Thermo Scientific Chemicals

CAS: 66361-67-9 Molekylær formel: C10H9BrO Molekylvægt (g/mol): 225.09 MDL nummer: MFCD04114378 InChI nøgle: OSDHOOBPMBLALZ-UHFFFAOYSA-N Synonym: 6-bromo-1-tetralone,6-bromo-3,4-dihydronaphthalen-1 2h-one,6-bromotetral-1-one,6-bromo-tetral-1-on,6-bromotetralone,1 2h-naphthalenone, 6-bromo-3,4-dihydro,6-bromo-1,2,3,4-tetrahydronaphthalen-1-one,6-bromo-3,4-dihydro-1 2h-naphthalenone,6-bromoteralone,6-bromo-tetralone PubChem CID: 10105069 IUPAC navn: 6-brom-3,4-dihydro-2H-naphthalen-1-on SMIL: BrC1=CC2=C(C=C1)C(=O)CCC2

MDL nummer MFCD04114378
PubChem CID 10105069
Molekylvægt (g/mol) 225.09
CAS 66361-67-9
Synonym 6-bromo-1-tetralone,6-bromo-3,4-dihydronaphthalen-1 2h-one,6-bromotetral-1-one,6-bromo-tetral-1-on,6-bromotetralone,1 2h-naphthalenone, 6-bromo-3,4-dihydro,6-bromo-1,2,3,4-tetrahydronaphthalen-1-one,6-bromo-3,4-dihydro-1 2h-naphthalenone,6-bromoteralone,6-bromo-tetralone
SMIL BrC1=CC2=C(C=C1)C(=O)CCC2
IUPAC navn 6-brom-3,4-dihydro-2H-naphthalen-1-on
InChI nøgle OSDHOOBPMBLALZ-UHFFFAOYSA-N
Molekylær formel C10H9BrO
11

6-Acetyl-1,2,3,4-tetrahydronaphthalene, 97%

CAS: 774-55-0 Molekylær formel: C12H14O Molekylvægt (g/mol): 174.24 MDL nummer: MFCD00019710 InChI nøgle: VEPUKHYQNXSSKV-UHFFFAOYSA-N Synonym: 1-5,6,7,8-tetrahydronaphthalen-2-yl ethanone,6-acetyltetralin,6-acetyl tetralin,ethanone, 1-5,6,7,8-tetrahydro-2-naphthalenyl,unii-6l3dbr6de6,6-acetyl-1,2,3,4-tetrahydronaphthalene,5,6,7,8-tetrahydro-2-acetonaphthone,6l3dbr6de6,6-acetyltetrahydronaphthalene,1-5,6,7,8-tetrahydronaphthalen-2-yl ethan-1-one PubChem CID: 69885 SMIL: CC(=O)C1=CC=C2CCCCC2=C1

MDL nummer MFCD00019710
PubChem CID 69885
Molekylvægt (g/mol) 174.24
CAS 774-55-0
Synonym 1-5,6,7,8-tetrahydronaphthalen-2-yl ethanone,6-acetyltetralin,6-acetyl tetralin,ethanone, 1-5,6,7,8-tetrahydro-2-naphthalenyl,unii-6l3dbr6de6,6-acetyl-1,2,3,4-tetrahydronaphthalene,5,6,7,8-tetrahydro-2-acetonaphthone,6l3dbr6de6,6-acetyltetrahydronaphthalene,1-5,6,7,8-tetrahydronaphthalen-2-yl ethan-1-one
SMIL CC(=O)C1=CC=C2CCCCC2=C1
InChI nøgle VEPUKHYQNXSSKV-UHFFFAOYSA-N
Molekylær formel C12H14O
12

6-Methoxy-1-tetralone, 99%

CAS: 1078-19-9 Molekylær formel: C11H12O2 Molekylvægt (g/mol): 176.215 MDL nummer: MFCD00001695 InChI nøgle: MNALUTYMBUBKNX-UHFFFAOYSA-N Synonym: 6-methoxy-1-tetralone,6-methoxy-3,4-dihydronaphthalen-1 2h-one,6-methoxytetralone,6-methoxy-alpha-tetralone,1 2h-naphthalenone, 3,4-dihydro-6-methoxy,6-methoxy-1,2,3,4-tetrahydronaphthalen-1-one,6-methoxy-3,4-dihydro-1 2h-naphthalenone,6-methoxytetralin-1-one,3,4-dihydro-6-methoxy-1 2h-naphthalenone,6-methoxy-.alpha.-tetralone PubChem CID: 14112 IUPAC navn: 6-methoxy-3,4-dihydro-2H-naphthalen-1-on SMIL: COC1=CC2=C(C=C1)C(=O)CCC2

MDL nummer MFCD00001695
PubChem CID 14112
Molekylvægt (g/mol) 176.215
CAS 1078-19-9
Synonym 6-methoxy-1-tetralone,6-methoxy-3,4-dihydronaphthalen-1 2h-one,6-methoxytetralone,6-methoxy-alpha-tetralone,1 2h-naphthalenone, 3,4-dihydro-6-methoxy,6-methoxy-1,2,3,4-tetrahydronaphthalen-1-one,6-methoxy-3,4-dihydro-1 2h-naphthalenone,6-methoxytetralin-1-one,3,4-dihydro-6-methoxy-1 2h-naphthalenone,6-methoxy-.alpha.-tetralone
SMIL COC1=CC2=C(C=C1)C(=O)CCC2
IUPAC navn 6-methoxy-3,4-dihydro-2H-naphthalen-1-on
InChI nøgle MNALUTYMBUBKNX-UHFFFAOYSA-N
Molekylær formel C11H12O2
13

1-Tetralone, 97%

CAS: 529-34-0 Molekylær formel: C10H10O Molekylvægt (g/mol): 146.19 MDL nummer: MFCD00001688 InChI nøgle: XHLHPRDBBAGVEG-UHFFFAOYSA-N Synonym: alpha-tetralone,1-tetralone,3,4-dihydronaphthalen-1 2h-one,1,2,3,4-tetrahydronaphthalen-1-one,3,4-dihydro-1 2h-naphthalenone,tetralone,a-tetralone,1-oxotetralin,1 2h-naphthalenone, 3,4-dihydro,.alpha.-tetralone PubChem CID: 10724 IUPAC navn: 3,4-dihydro-2H-naphthalen-1-on SMIL: O=C1CCCC2=CC=CC=C12

MDL nummer MFCD00001688
PubChem CID 10724
Molekylvægt (g/mol) 146.19
CAS 529-34-0
Synonym alpha-tetralone,1-tetralone,3,4-dihydronaphthalen-1 2h-one,1,2,3,4-tetrahydronaphthalen-1-one,3,4-dihydro-1 2h-naphthalenone,tetralone,a-tetralone,1-oxotetralin,1 2h-naphthalenone, 3,4-dihydro,.alpha.-tetralone
SMIL O=C1CCCC2=CC=CC=C12
IUPAC navn 3,4-dihydro-2H-naphthalen-1-on
InChI nøgle XHLHPRDBBAGVEG-UHFFFAOYSA-N
Molekylær formel C10H10O
14

1-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethan-1-on, 97 %, Thermo Scientific™

CAS: 17610-21-8 Molekylær formel: C16H22O Molekylvægt (g/mol): 230.351 InChI nøgle: IHUSZOMIBSDQTB-UHFFFAOYSA-N Synonym: 1-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl ethanone,1-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl ethan-1-one,1,1,4,4-tetramethyl-6-acetyltetralin,1-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl ethanone,1-5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphthalen-2-yl-ethanone,6-acetyl-1,2,3,4-tetrahydro-1,1,4,4-tetramethylnaphthalene,2-acetyl-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalene,6-acetyl-1,1,4,4-tetramethyltetralin,6-acetyl-1,1,4,4-tetra-methyl-tetralin,1,1,4,4-tetramethyl-1,2,3,4-tetrahydro-6-acetylnaphthalene PubChem CID: 2747562 IUPAC navn: 1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanon SMIL: CC(=O)C1=CC2=C(C=C1)C(CCC2(C)C)(C)C

PubChem CID 2747562
Molekylvægt (g/mol) 230.351
CAS 17610-21-8
Synonym 1-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl ethanone,1-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl ethan-1-one,1,1,4,4-tetramethyl-6-acetyltetralin,1-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl ethanone,1-5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphthalen-2-yl-ethanone,6-acetyl-1,2,3,4-tetrahydro-1,1,4,4-tetramethylnaphthalene,2-acetyl-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalene,6-acetyl-1,1,4,4-tetramethyltetralin,6-acetyl-1,1,4,4-tetra-methyl-tetralin,1,1,4,4-tetramethyl-1,2,3,4-tetrahydro-6-acetylnaphthalene
SMIL CC(=O)C1=CC2=C(C=C1)C(CCC2(C)C)(C)C
IUPAC navn 1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanon
InChI nøgle IHUSZOMIBSDQTB-UHFFFAOYSA-N
Molekylær formel C16H22O
15

6,7-dimethoxy-1-tetralon, 97 %, Thermo Scientific Chemicals

CAS: 13575-75-2 Molekylær formel: C12H14O3 Molekylvægt (g/mol): 206.24 MDL nummer: MFCD00134100 InChI nøgle: YNNJHKOXXBIJKK-UHFFFAOYSA-N Synonym: 6,7-dimethoxy-1-tetralone,6,7-dimethoxy-3,4-dihydronaphthalen-1 2h-one,6,7-dimethoxytetralin-1-one,6,7-dimethoxy-3,4-dihydro-1 2h-naphthalenone,1 2h-naphthalenone, 3,4-dihydro-6,7-dimethoxy,3,4-dihydro-6,7-dimethoxynaphthalen-1 2h-one,6,7-dimethoxy-2,3,4-trihydronaphthalen-1-one,7-dimethoxy,4-dihydro-6,zlchem 843 PubChem CID: 266816 IUPAC navn: 6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-on SMIL: COC1=CC2=C(C=C1OC)C(=O)CCC2

MDL nummer MFCD00134100
PubChem CID 266816
Molekylvægt (g/mol) 206.24
CAS 13575-75-2
Synonym 6,7-dimethoxy-1-tetralone,6,7-dimethoxy-3,4-dihydronaphthalen-1 2h-one,6,7-dimethoxytetralin-1-one,6,7-dimethoxy-3,4-dihydro-1 2h-naphthalenone,1 2h-naphthalenone, 3,4-dihydro-6,7-dimethoxy,3,4-dihydro-6,7-dimethoxynaphthalen-1 2h-one,6,7-dimethoxy-2,3,4-trihydronaphthalen-1-one,7-dimethoxy,4-dihydro-6,zlchem 843
SMIL COC1=CC2=C(C=C1OC)C(=O)CCC2
IUPAC navn 6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-on
InChI nøgle YNNJHKOXXBIJKK-UHFFFAOYSA-N
Molekylær formel C12H14O3