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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H31NO3.ClH
Molecular Weight 393.947
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AMICIBONE HYDROCHLORIDE, (S)-

SMILES

Cl.O=C(OCC1=CC=CC=C1)[C@]3(CCN2CCCCCC2)CCCCC3=O

InChI

InChIKey=XGNCBIXFTKCRSD-FTBISJDPSA-N
InChI=1S/C22H31NO3.ClH/c24-20-12-6-7-13-22(20,14-17-23-15-8-1-2-9-16-23)21(25)26-18-19-10-4-3-5-11-19;/h3-5,10-11H,1-2,6-9,12-18H2;1H/t22-;/m0./s1

HIDE SMILES / InChI

Molecular Formula C22H31NO3
Molecular Weight 357.4864
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:46:55 GMT 2023
Edited
by admin
on Sat Dec 16 09:46:55 GMT 2023
Record UNII
3WM941ST5P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AMICIBONE HYDROCHLORIDE, (S)-
Common Name English
CYCLOHEXANECARBOXYLIC ACID, 1-(2-(HEXAHYDRO-1H-AZEPIN-1-YL)ETHYL)-2-OXO-, BENZYL ESTER, HYDROCHLORIDE, (S)-
Systematic Name English
Code System Code Type Description
FDA UNII
3WM941ST5P
Created by admin on Sat Dec 16 09:46:55 GMT 2023 , Edited by admin on Sat Dec 16 09:46:55 GMT 2023
PRIMARY
PUBCHEM
91826940
Created by admin on Sat Dec 16 09:46:55 GMT 2023 , Edited by admin on Sat Dec 16 09:46:55 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER