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Details

Stereochemistry RACEMIC
Molecular Formula C25H31NO.ClH
Molecular Weight 397.981
Optical Activity ( + / - )
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BUTACLAMOL HYDROCHLORIDE

SMILES

Cl.[H][C@]12C[C@](O)(CCN1C[C@]3([H])C4=C(CCC5=C3C2=CC=C5)C=CC=C4)C(C)(C)C

InChI

InChIKey=QZRUMKUMFJJARD-OMMJFLKZSA-N
InChI=1S/C25H31NO.ClH/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25;/h4-10,21-22,27H,11-16H2,1-3H3;1H/t21-,22-,25-;/m1./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
BUTACLAMOL HYDROCHLORIDE
USAN  
USAN  
Official Name English
BUTACLAMOL HYDROCHLORIDE [USAN]
Common Name English
AY 23028
Code English
BUTACLAMOL HCL
Common Name English
(±)-3.ALPHA.-TERT-BUTYL-2,3,4,4A.BETA.,8,9,13B.ALPHA.,14-OCTAHYDRO-1H-BENZO(6,7)-CYCLOHEPTA(1,2,3-DE)PYRIDO(2,1-A)ISOQUINOLIN-3-OL HYDROCHLORIDE
Common Name English
1H-BENZO(6,7)CYCLOHEPTA(1,2,3-DE)-PYRIDO(2,1-A)ISOQUINOLIN-3-OL, 3-(1,1-DIMETHYLETHYL)-2,3,4,4A,8,9,13B,14-OCTAHYDRO-, HYDROCHLORIDE, (3.ALPHA.,4A.ALPHA.,13B.BETA.)-(±)-
Common Name English
AY 23,028
Code English
AY-23028
Code English
1H-BENZO(6,7)CYCLOHEPTA(1,2,3-DE)-PYRIDO(2,1-A)ISOQUINOLIN-3-OL, 3-(1,1-DIMETHYLETHYL)-2,3,4,4A,8,9,13B,14-OCTAHYDRO-, (3.ALPHA.,4A.ALPHA.,13B.BETA.)-(±)-, HYDROCHLORIDE
Common Name English
AY-23,028
Code English
Classification Tree Code System Code
NCI_THESAURUS C66883
Created by admin on Fri Dec 15 15:15:38 UTC 2023 , Edited by admin on Fri Dec 15 15:15:38 UTC 2023
Code System Code Type Description
NCI_THESAURUS
C81089
Created by admin on Fri Dec 15 15:15:38 UTC 2023 , Edited by admin on Fri Dec 15 15:15:38 UTC 2023
PRIMARY
FDA UNII
8TUG8SF12T
Created by admin on Fri Dec 15 15:15:38 UTC 2023 , Edited by admin on Fri Dec 15 15:15:38 UTC 2023
PRIMARY
ChEMBL
CHEMBL8514
Created by admin on Fri Dec 15 15:15:38 UTC 2023 , Edited by admin on Fri Dec 15 15:15:38 UTC 2023
PRIMARY
PUBCHEM
37460
Created by admin on Fri Dec 15 15:15:38 UTC 2023 , Edited by admin on Fri Dec 15 15:15:38 UTC 2023
PRIMARY
CAS
36504-94-6
Created by admin on Fri Dec 15 15:15:38 UTC 2023 , Edited by admin on Fri Dec 15 15:15:38 UTC 2023
PRIMARY
EPA CompTox
DTXSID0045757
Created by admin on Fri Dec 15 15:15:38 UTC 2023 , Edited by admin on Fri Dec 15 15:15:38 UTC 2023
PRIMARY