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

Details

Stereochemistry ACHIRAL
Molecular Formula C16H23NO.C6H8O7
Molecular Weight 437.4834
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ANAZOCINE CITRATE

SMILES

OC(=O)CC(O)(CC(O)=O)C(O)=O.CO[C@]1([C@H]2CCC[C@@H]1CN(C)C2)C3=CC=CC=C3

InChI

InChIKey=UZKDXESOJFBSJS-JXMYBXCISA-N
InChI=1S/C16H23NO.C6H8O7/c1-17-11-14-9-6-10-15(12-17)16(14,18-2)13-7-4-3-5-8-13;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-5,7-8,14-15H,6,9-12H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t14-,15+,16?;

HIDE SMILES / InChI

Molecular Formula C6H8O7
Molecular Weight 192.1235
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C16H23NO
Molecular Weight 245.3599
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 08:29:54 GMT 2023
Edited
by admin
on Sat Dec 16 08:29:54 GMT 2023
Record UNII
ZL0S1960NF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ANAZOCINE CITRATE
Common Name English
3-AZABICYCLO(3.3.1)NONANE, 9-METHOXY-3-METHYL-9-PHENYL-, SYN-, 2-HYDROXY-1,2,3-
Common Name English
3-AZABICYCLO(3.3.1)NONANE, 9-METHOXY-3-METHYL-9-PHENYL-, (9-SYN)-, 2-HYDROXY-1,2,3-PROPANETRICARBOXYLATE (1:1)
Systematic Name English
PROPANETRICARBOXYLATE (1:1)
Common Name English
(9CI)3-AZABICYCLO(3.3.1)NONANE, 9-METHOXY-3-METHYL-9-PHENYL-, CITRATE (1:1), STEREOISOMER
Common Name English
Code System Code Type Description
FDA UNII
ZL0S1960NF
Created by admin on Sat Dec 16 08:29:54 GMT 2023 , Edited by admin on Sat Dec 16 08:29:54 GMT 2023
PRIMARY
CAS
21650-02-2
Created by admin on Sat Dec 16 08:29:54 GMT 2023 , Edited by admin on Sat Dec 16 08:29:54 GMT 2023
PRIMARY
PUBCHEM
167996
Created by admin on Sat Dec 16 08:29:54 GMT 2023 , Edited by admin on Sat Dec 16 08:29:54 GMT 2023
PRIMARY
CAS
29842-00-0
Created by admin on Sat Dec 16 08:29:54 GMT 2023 , Edited by admin on Sat Dec 16 08:29:54 GMT 2023
SUPERSEDED