U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C24H29NO.ClH
Molecular Weight 383.954
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GPA-3154 HYDROCHLORIDE, (-)-

SMILES

Cl.[H][C@]12CC3=CC=C(O)C=C3[C@@](CCN1CC4CCC4)([C@@H]2C)C5=CC=CC=C5

InChI

InChIKey=APIWYOHQDZUAGE-JYAABCKKSA-N
InChI=1S/C24H29NO.ClH/c1-17-23-14-19-10-11-21(26)15-22(19)24(17,20-8-3-2-4-9-20)12-13-25(23)16-18-6-5-7-18;/h2-4,8-11,15,17-18,23,26H,5-7,12-14,16H2,1H3;1H/t17-,23-,24+;/m1./s1

HIDE SMILES / InChI

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

Molecular Formula C24H29NO
Molecular Weight 347.4932
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:24:44 GMT 2023
Edited
by admin
on Fri Dec 15 15:24:44 GMT 2023
Record UNII
S25V5TP7ZN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GPA-3154 HYDROCHLORIDE, (-)-
Code English
2,6-METHANO-3-BENZAZOCIN-8-OL, 3-(CYCLOBUTYLMETHYL)-1,2,3,4,5,6-HEXAHYDRO-11-METHYL-6-PHENYL-, HYDROCHLORIDE, (2R-(2.ALPHA.,6.BETA.,11S*))-
Common Name English
Code System Code Type Description
CAS
35758-32-8
Created by admin on Fri Dec 15 15:24:44 GMT 2023 , Edited by admin on Fri Dec 15 15:24:44 GMT 2023
PRIMARY
FDA UNII
S25V5TP7ZN
Created by admin on Fri Dec 15 15:24:44 GMT 2023 , Edited by admin on Fri Dec 15 15:24:44 GMT 2023
PRIMARY
PUBCHEM
133082157
Created by admin on Fri Dec 15 15:24:44 GMT 2023 , Edited by admin on Fri Dec 15 15:24:44 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY