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Azaspirodecan-derivater

Organiske heterocykliske forbindelser, der er afledt af azaspirodecan; azaspirodecan består af en 10-leddet cykel med ni carbonatomer, et nitrogenatom og sytten hydrogenatomer med formlen: C9H17N.

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1

Cevimelin N-oxid, TRC

CAS: 469890-14-0 Molekylær formel: C10 H17 N O2 S Molekylvægt (g/mol): 215.31 Synonym: (2'R,3R)-rel-2'-Methylspiro[1-azabicyclo[2.2.2]octane-3,5'-oxathiolane] 1-Oxide IUPAC navn: (2S,5S)-2-methyl-1'-oxidospiro[1,3-oxathiolan-5,3'-1-azoniabicyclo[2.2.2]oktan] SMIL: C[C@H]1O[C@]2(CS1)C[N+]3([O-])CCC2CC3

Molekylvægt (g/mol) 215.31
CAS 469890-14-0
Synonym (2'R,3R)-rel-2'-Methylspiro[1-azabicyclo[2.2.2]octane-3,5'-oxathiolane] 1-Oxide
SMIL C[C@H]1O[C@]2(CS1)C[N+]3([O-])CCC2CC3
IUPAC navn (2S,5S)-2-methyl-1'-oxidospiro[1,3-oxathiolan-5,3'-1-azoniabicyclo[2.2.2]oktan]
Molekylær formel C10 H17 N O2 S
2

Fenspirid N-oxid, TRC

CAS: 210690-26-9 Molekylær formel: C15H20N2O3 Molekylvægt (g/mol): 276.33 Synonym: trans- 8-(2-Phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one 8-Oxide,(5α,8β)-8-(2-Phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one 8-Oxide; SMIL: [O-][N+]1(CCc2ccccc2)CCC3(CC1)CNC(=O)O3

Molekylvægt (g/mol) 276.33
CAS 210690-26-9
Synonym trans- 8-(2-Phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one 8-Oxide,(5α,8β)-8-(2-Phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one 8-Oxide;
SMIL [O-][N+]1(CCc2ccccc2)CCC3(CC1)CNC(=O)O3
Molekylær formel C15H20N2O3
3

Cevimelin N,S-dioxid (blanding af diastereomerer), TRC

Molekylær formel: C10 H17 N O3 S Molekylvægt (g/mol): 231.312 Synonym: (2'R,3R,3'S)-rel-2'-Methylspiro[1-azabicyclo[2.2.2]octane-3,5'-oxathiolane] 1,3'-Dioxide IUPAC navn: (2S,5S)-2-methyl-1'-oxidospirospiro[1,3-oxathiolan-5,3'-1-azoniabicyclo[2.2.2]oktan] 3-oxid SMIL: C[C@H]1O[C@]2(CS1=O)C[N@+]3([O-])CC[C@@H]2CC3

Molekylvægt (g/mol) 231.312
Synonym (2'R,3R,3'S)-rel-2'-Methylspiro[1-azabicyclo[2.2.2]octane-3,5'-oxathiolane] 1,3'-Dioxide
SMIL C[C@H]1O[C@]2(CS1=O)C[N@+]3([O-])CC[C@@H]2CC3
IUPAC navn (2S,5S)-2-methyl-1'-oxidospirospiro[1,3-oxathiolan-5,3'-1-azoniabicyclo[2.2.2]oktan] 3-oxid
Molekylær formel C10 H17 N O3 S
5

Venlafaxin cyklisk urenhed, TRC

CAS: 93413-70-8 Molekylær formel: C17 H25 N O2 Molekylvægt (g/mol): 275.39 Synonym: Venlafaxine EP Impurity E IUPAC navn: 5-(4-methoxyphenyl)-3-methyl-1-oxa-3-azaspiro[5.5]undecane SMIL: COc1ccc(cc1)C2CN(C)COC23CCCCC3

Molekylvægt (g/mol) 275.39
CAS 93413-70-8
Synonym Venlafaxine EP Impurity E
SMIL COc1ccc(cc1)C2CN(C)COC23CCCCC3
IUPAC navn 5-(4-methoxyphenyl)-3-methyl-1-oxa-3-azaspiro[5.5]undecane
Molekylær formel C17 H25 N O2
6

3,3-Pentamethylenglutarimid, TRC

CAS: 1130-32-1 Molekylær formel: C10 H15 N O2 Molekylvægt (g/mol): 181.23 Synonym: 3-Azaspiro[5.5]undecane-2,4-dione,1,1-Cyclohexanediacetimide (6CI,7CI,8CI),2,4-Dioxo-3-azaspiro[5.5]undecane,3,3-Cyclopentane glutarimide,NSC 400093,3,3-Pentamethyleneglutarimide IUPAC navn: 3-azaspiro[5.5]undecane-2,4-dione SMIL: O=C1CC2(CCCCC2)CC(=O)N1

Molekylvægt (g/mol) 181.23
CAS 1130-32-1
Synonym 3-Azaspiro[5.5]undecane-2,4-dione,1,1-Cyclohexanediacetimide (6CI,7CI,8CI),2,4-Dioxo-3-azaspiro[5.5]undecane,3,3-Cyclopentane glutarimide,NSC 400093,3,3-Pentamethyleneglutarimide
SMIL O=C1CC2(CCCCC2)CC(=O)N1
IUPAC navn 3-azaspiro[5.5]undecane-2,4-dione
Molekylær formel C10 H15 N O2
7

8-(4-klorobutyl)-8-azaspiro[4.5]dekan-7,9-dion, TRC

CAS: 21098-11-3 Molekylær formel: C13 H20 Cl N O2 Molekylvægt (g/mol): 257.76 Synonym: 8-(4-Chlorobutyl)-8-azaspiro[4.5]-decane-7,9-dione,Buspirone Hydrochloride Imp. L (EP) IUPAC navn: 8-(4-klorobutyl)-8-azaspiro[4.5]dekan-7,9-dione SMIL: ClCCCCN1C(=O)CC2(CCCC2)CC1=O

Molekylvægt (g/mol) 257.76
CAS 21098-11-3
Synonym 8-(4-Chlorobutyl)-8-azaspiro[4.5]-decane-7,9-dione,Buspirone Hydrochloride Imp. L (EP)
SMIL ClCCCCN1C(=O)CC2(CCCC2)CC1=O
IUPAC navn 8-(4-klorobutyl)-8-azaspiro[4.5]dekan-7,9-dione
Molekylær formel C13 H20 Cl N O2
8

3,3-Tetramethyleneglutarimide, 98%, Thermo Scientific™

CAS: 1075-89-4 Molekylær formel: C9H13NO2 Molekylvægt (g/mol): 167.208 MDL nummer: MFCD00023871 InChI nøgle: YRTHJMQKDCXPAY-UHFFFAOYSA-N Synonym: 3,3-tetramethyleneglutarimide,8-azaspiro 4.5 decane-7,9-dione,azaspirodecanedione,1,1-cyclopentanediacetimide,8-aza-spiro 4.5 decane-7,9-dione,buspirone impurity k,dsstox_cid_31405,dsstox_rid_97291,dsstox_gsid_57616 PubChem CID: 136843 IUPAC navn: 8-azaspiro[4.5]decane-7,9-dione SMIL: C1CCC2(C1)CC(=O)NC(=O)C2

MDL nummer MFCD00023871
PubChem CID 136843
Molekylvægt (g/mol) 167.208
CAS 1075-89-4
Synonym 3,3-tetramethyleneglutarimide,8-azaspiro 4.5 decane-7,9-dione,azaspirodecanedione,1,1-cyclopentanediacetimide,8-aza-spiro 4.5 decane-7,9-dione,buspirone impurity k,dsstox_cid_31405,dsstox_rid_97291,dsstox_gsid_57616
SMIL C1CCC2(C1)CC(=O)NC(=O)C2
IUPAC navn 8-azaspiro[4.5]decane-7,9-dione
InChI nøgle YRTHJMQKDCXPAY-UHFFFAOYSA-N
Molekylær formel C9H13NO2
9

3,3-Pentamethylene glutarimide, ≥98%, Thermo Scientific™

CAS: 1130-32-1 Molekylær formel: C10H15NO2 Molekylvægt (g/mol): 181.235 MDL nummer: MFCD00023872 InChI nøgle: FNIPRNMPSXNBDI-UHFFFAOYSA-N Synonym: 3,3-pentamethylene glutarimide,3-azaspiro 5.5 undecane-2,4-dione,1,1-cyclohexanediacetimide,3,3-pentamethyleneglutarimide,3-azaspiro 5,5 undecan-2,4-dione,9-azaspiro 5.5 undecane-8,10-dione,beta,beta-pentamethylen-glutarsaeureimid german,5-21-10-00098 beilstein handbook reference,beta,beta-pentamethylen-glutarsaeureimid PubChem CID: 14324 IUPAC navn: 3-azaspiro[5.5]undecane-2,4-dione SMIL: C1CCC2(CC1)CC(=O)NC(=O)C2

MDL nummer MFCD00023872
PubChem CID 14324
Molekylvægt (g/mol) 181.235
CAS 1130-32-1
Synonym 3,3-pentamethylene glutarimide,3-azaspiro 5.5 undecane-2,4-dione,1,1-cyclohexanediacetimide,3,3-pentamethyleneglutarimide,3-azaspiro 5,5 undecan-2,4-dione,9-azaspiro 5.5 undecane-8,10-dione,beta,beta-pentamethylen-glutarsaeureimid german,5-21-10-00098 beilstein handbook reference,beta,beta-pentamethylen-glutarsaeureimid
SMIL C1CCC2(CC1)CC(=O)NC(=O)C2
IUPAC navn 3-azaspiro[5.5]undecane-2,4-dione
InChI nøgle FNIPRNMPSXNBDI-UHFFFAOYSA-N
Molekylær formel C10H15NO2