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1

(1S,4S)-N-Desmethyl Sertralinhydrochlorid, 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-amin; hydrochlorid 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-amin; hydrochlorid
Molekylær formel C16 H15 Cl2 N . Cl H
2

rac-cis-N-Desmethyl Sertralinhydrochlorid, 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-amin; hydrochlorid 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-amin; hydrochlorid
Molekylær formel C16 H15 Cl2 N . Cl H
3

(1R,4R)-N-Desmethyl Sertralinhydrochlorid, 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-amin; hydrochlorid 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-amin; hydrochlorid
Molekylær formel C16 H15 Cl2 N . Cl H
7

(+)-3,4,4a,5,6,10b-Hexahydro-2H-nafto[1,2-b][1,4]oxazin-9-ol Hydrochlorid, TRC

CAS: 858517-21-2 Molekylær formel: C12 H15 N O2 . Cl H Molekylvægt (g/mol): 241.71 IUPAC navn: (4aR,10bR)-3,4,4a,5,6,10b-hexahydro-2H-benzo[h][1,4]benzoxazin-9-ol; hydrochlorid SMIL: Cl.Oc1ccc2CC[C@H]3NCCO[C@@H]3c2c1

Molekylvægt (g/mol) 241.71
CAS 858517-21-2
SMIL Cl.Oc1ccc2CC[C@H]3NCCO[C@@H]3c2c1
IUPAC navn (4aR,10bR)-3,4,4a,5,6,10b-hexahydro-2H-benzo[h][1,4]benzoxazin-9-ol; hydrochlorid
Molekylær formel C12 H15 N O2 . Cl H
8

ent-Naxagolid Hydrochlorid, TRC

CAS: 100935-99-7 Molekylær formel: C15 H21 N O2 . Cl H Molekylvægt (g/mol): 283.79 IUPAC navn: (4aR,10bR)-4-propyl-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazin-9-ol; hydrochlorid SMIL: Cl.CCCN1CCO[C@H]2[C@H]1CCc3ccc(O)cc23

Molekylvægt (g/mol) 283.79
CAS 100935-99-7
SMIL Cl.CCCN1CCO[C@H]2[C@H]1CCc3ccc(O)cc23
IUPAC navn (4aR,10bR)-4-propyl-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazin-9-ol; hydrochlorid
Molekylær formel C15 H21 N O2 . Cl H
9

(R,R)-Sertralin, TRC

CAS: 79617-98-4 Molekylær formel: C17 H17 Cl2 N Molekylvægt (g/mol): 306.2296 Synonym: (1R,4R)-4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-1-naphthalenamine,(1R-cis)-4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-1-Naphthalenamine,(1R,4R)-4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-1-naphthalenamine,CP 51973 IUPAC navn: (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amin SMIL: CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c3ccccc13

Molekylvægt (g/mol) 306.2296
CAS 79617-98-4
Synonym (1R,4R)-4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-1-naphthalenamine,(1R-cis)-4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-1-Naphthalenamine,(1R,4R)-4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-1-naphthalenamine,CP 51973
SMIL CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c3ccccc13
IUPAC navn (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amin
Molekylær formel C17 H17 Cl2 N
10

Tamibarotene, TRC

CAS: 94497-51-5 Molekylær formel: C22 H25 N O3 Molekylvægt (g/mol): 351.44 IUPAC navn: 4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]benzoesyre SMIL: CC1(C)CCC(C)(C)c2cc(NC(=O)c3ccc(cc3)C(=O)O)ccc12

Molekylvægt (g/mol) 351.44
CAS 94497-51-5
SMIL CC1(C)CCC(C)(C)c2cc(NC(=O)c3ccc(cc3)C(=O)O)ccc12
IUPAC navn 4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]benzoesyre
Molekylær formel C22 H25 N O3
11

LG 100268, TRC

CAS: 153559-76-3 Molekylær formel: C24 H29 N O2 Molekylvægt (g/mol): 363.49 IUPAC navn: 6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyridin-3-carboxylsyre SMIL: Cc1cc2c(cc1C3(CC3)c4ccc(cn4)C(=O)O)C(C)(C)CCC2(C)C

Molekylvægt (g/mol) 363.49
CAS 153559-76-3
SMIL Cc1cc2c(cc1C3(CC3)c4ccc(cn4)C(=O)O)C(C)(C)CCC2(C)C
IUPAC navn 6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyridin-3-carboxylsyre
Molekylær formel C24 H29 N O2
12

Sertralin Carbamoylglucuronid, TRC

CAS: 119733-44-7 Molekylær formel: C24 H25 Cl2 N O8 Molekylvægt (g/mol): 526.36 IUPAC navn: (2S,3S,4S,5R,6S)-6-[[(1S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-methylcarbamoyl]oxy-3,4,5-trihydroxyoxan-2-carboxylsyre SMIL: CN([C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c3ccccc13)C(=O)O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(=O)O

Molekylvægt (g/mol) 526.36
CAS 119733-44-7
SMIL CN([C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c3ccccc13)C(=O)O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(=O)O
IUPAC navn (2S,3S,4S,5R,6S)-6-[[(1S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-methylcarbamoyl]oxy-3,4,5-trihydroxyoxan-2-carboxylsyre
Molekylær formel C24 H25 Cl2 N O8
13

Nadolol, TRC

CAS: 42200-33-9 Molekylær formel: C17 H27 N O4 Molekylvægt (g/mol): 309.4 Synonym: 5-[3-[(1,1-Dimethylethyl)amino]-2-hydroxypropoxy]-1,2,3,4-tetrahydro-2,3-naphthalenediol,Anabet,Corgard,Nadolol,SQ 11725,Solgol,cis-5-[(2RS)-3-[(1,1-Dimethylethyl)amino]-2-hydroxypropoxy]-1,2,3,4-tetrahydronaphthalene-2,3-diol,1-(tert-Butylamino)-3-[(5,6,7,8-tetrahydro-cis-6,7-dihydroxy-1-naphthyl)oxy]-2-propanol,2,3-cis-1,2,3,4-tetrahydro-5-[2-hydroxy-3-(tert-butylamino)propoxy]-2,3-naphthalenediol IUPAC navn: (2R,3S)-5-[3-(tert-butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydronaphthalen-2,3-diol SMIL: CC(C)(C)NCC(O)COc1cccc2C[C@@H](O)[C@@H](O)Cc12

Molekylvægt (g/mol) 309.4
CAS 42200-33-9
Synonym 5-[3-[(1,1-Dimethylethyl)amino]-2-hydroxypropoxy]-1,2,3,4-tetrahydro-2,3-naphthalenediol,Anabet,Corgard,Nadolol,SQ 11725,Solgol,cis-5-[(2RS)-3-[(1,1-Dimethylethyl)amino]-2-hydroxypropoxy]-1,2,3,4-tetrahydronaphthalene-2,3-diol,1-(tert-Butylamino)-3-[(5,6,7,8-tetrahydro-cis-6,7-dihydroxy-1-naphthyl)oxy]-2-propanol,2,3-cis-1,2,3,4-tetrahydro-5-[2-hydroxy-3-(tert-butylamino)propoxy]-2,3-naphthalenediol
SMIL CC(C)(C)NCC(O)COc1cccc2C[C@@H](O)[C@@H](O)Cc12
IUPAC navn (2R,3S)-5-[3-(tert-butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydronaphthalen-2,3-diol
Molekylær formel C17 H27 N O4
14

6-amino-1-tetralon, 97%

CAS: 3470-53-9 Molekylær formel: C10H11NO Molekylvægt (g/mol): 161.204 MDL nummer: MFCD00099462 InChI nøgle: BEVVUJBVEXJGKM-UHFFFAOYSA-N Synonym: 6-amino-1,2,3,4-tetrahydronaphthalen-1-one,6-amino-1-tetralone,6-amino-3,4-dihydronaphthalen-1 2h-one,6-amino-3,4-dihydro-1 2h-naphthalenone,1 2h-naphthalenone, 6-amino-3,4-dihydro,6-amino-1,2,3,4-tetrahydro napthalene-1-one,6-amino-2,3,4-trihydronaphthalen-1-one,6-azanyl-3,4-dihydro-2∼ h-naphthalen-1-one,6-aminotetralone,pubchem12409 PubChem CID: 339537 IUPAC navn: 6-amino-3,4-dihydro-2H-naphthalen-1-on SMIL: C1CC2=C(C=CC(=C2)N)C(=O)C1

MDL nummer MFCD00099462
PubChem CID 339537
Molekylvægt (g/mol) 161.204
CAS 3470-53-9
Synonym 6-amino-1,2,3,4-tetrahydronaphthalen-1-one,6-amino-1-tetralone,6-amino-3,4-dihydronaphthalen-1 2h-one,6-amino-3,4-dihydro-1 2h-naphthalenone,1 2h-naphthalenone, 6-amino-3,4-dihydro,6-amino-1,2,3,4-tetrahydro napthalene-1-one,6-amino-2,3,4-trihydronaphthalen-1-one,6-azanyl-3,4-dihydro-2∼ h-naphthalen-1-one,6-aminotetralone,pubchem12409
SMIL C1CC2=C(C=CC(=C2)N)C(=O)C1
IUPAC navn 6-amino-3,4-dihydro-2H-naphthalen-1-on
InChI nøgle BEVVUJBVEXJGKM-UHFFFAOYSA-N
Molekylær formel C10H11NO
15

rac-cis-2,3-dicloro Sertralin Hydrochlorid, TRC

CAS: 1198084-29-5 Molekylær formel: C17 H17 Cl2 N . Cl H Molekylvægt (g/mol): 342.6905 Synonym: 1-Naphthalenamine, 4-(2,3-dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-, hydrochloride (1:1), (1S,4R)-,(1S,4R)-4-(2,3-Dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-1-naphthalenamine hydrochloride (1:1),cis-2,3-Dichloro sertraline hydrochloride,cis-2,3-Dichlorosertraline hydrochloride,(1S-cis)-2,3-Dichlorosertraline hydrochloride,(1S,4R)-4-(2,3-Dichlorophenyl)-1,2,3,4-tetrahydro-N-methylnaphthalenamine hydrochloride,(1S,4R)-4-(2,3-Dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine hydrochloride IUPAC navn: (1S,4R)-4-(2,3-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amin; hydrochlorid SMIL: Cl.CN[C@H]1CC[C@@H](c2cccc(Cl)c2Cl)c3ccccc13

Molekylvægt (g/mol) 342.6905
CAS 1198084-29-5
Synonym 1-Naphthalenamine, 4-(2,3-dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-, hydrochloride (1:1), (1S,4R)-,(1S,4R)-4-(2,3-Dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-1-naphthalenamine hydrochloride (1:1),cis-2,3-Dichloro sertraline hydrochloride,cis-2,3-Dichlorosertraline hydrochloride,(1S-cis)-2,3-Dichlorosertraline hydrochloride,(1S,4R)-4-(2,3-Dichlorophenyl)-1,2,3,4-tetrahydro-N-methylnaphthalenamine hydrochloride,(1S,4R)-4-(2,3-Dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine hydrochloride
SMIL Cl.CN[C@H]1CC[C@@H](c2cccc(Cl)c2Cl)c3ccccc13
IUPAC navn (1S,4R)-4-(2,3-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amin; hydrochlorid
Molekylær formel C17 H17 Cl2 N . Cl H