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

Details

Stereochemistry RACEMIC
Molecular Formula C17H23NO
Molecular Weight 257.3706
Optical Activity ( + / - )
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALAZOCINE, (±)-

SMILES

C[C@H]1[C@H]2CC3=C(C=C(O)C=C3)[C@]1(C)CCN2CC=C

InChI

InChIKey=LGQCVMYAEFTEFN-JCURWCKSSA-N
InChI=1S/C17H23NO/c1-4-8-18-9-7-17(3)12(2)16(18)10-13-5-6-14(19)11-15(13)17/h4-6,11-12,16,19H,1,7-10H2,2-3H3/t12-,16+,17+/m0/s1

HIDE SMILES / InChI

Molecular Formula C17H23NO
Molecular Weight 257.3706
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 Sat Dec 16 15:46:15 GMT 2023
Edited
by admin
on Sat Dec 16 15:46:15 GMT 2023
Record UNII
L884482HDD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ALAZOCINE, (±)-
Common Name English
NANM
Common Name English
(±)-N-ALLYLNORMETAZOCINE
Common Name English
(±)-SKF-10047
Code English
WIN-19631
Code English
2,6-METHANO-3-BENZAZOCIN-8-OL, 1,2,3,4,5,6-HEXAHYDRO-6,11-DIMETHYL-3-(2-PROPEN-1-YL)-, (2R,6R,11R)-REL-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID301018249
Created by admin on Sat Dec 16 15:46:15 GMT 2023 , Edited by admin on Sat Dec 16 15:46:15 GMT 2023
PRIMARY
PUBCHEM
3036246
Created by admin on Sat Dec 16 15:46:15 GMT 2023 , Edited by admin on Sat Dec 16 15:46:15 GMT 2023
PRIMARY
CAS
825594-24-9
Created by admin on Sat Dec 16 15:46:15 GMT 2023 , Edited by admin on Sat Dec 16 15:46:15 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
FDA UNII
L884482HDD
Created by admin on Sat Dec 16 15:46:15 GMT 2023 , Edited by admin on Sat Dec 16 15:46:15 GMT 2023
PRIMARY
CAS
7313-95-3
Created by admin on Sat Dec 16 15:46:15 GMT 2023 , Edited by admin on Sat Dec 16 15:46:15 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT