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

Details

Stereochemistry ABSOLUTE
Molecular Formula 2C21H27NO2.C6H8O7
Molecular Weight 843.0145
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NORPROPOXYPHENE CITRATE

SMILES

CCC(=O)O[C@@](Cc1ccccc1)([C@]([H])(C)CNC)c2ccccc2.CCC(=O)O[C@@](Cc1ccccc1)([C@]([H])(C)CNC)c2ccccc2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChIKey=SGTBCLTVPLYTRI-OXXXZDCLSA-N
InChI=1S/2C21H27NO2.C6H8O7/c2*1-4-20(23)24-21(17(2)16-22-3,19-13-9-6-10-14-19)15-18-11-7-5-8-12-18;7-3(8)1-6(13,5(11)12)2-4(9)10/h2*5-14,17,22H,4,15-16H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t2*17-,21+;/m11./s1

HIDE SMILES / InChI

Molecular Formula C21H27NO2
Molecular Weight 325.4454
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula C6H8O7
Molecular Weight 192.1238
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 Jun 26 03:27:53 UTC 2021
Edited
by admin
on Sat Jun 26 03:27:53 UTC 2021
Record UNII
ZWC8MXE10D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NORPROPOXYPHENE CITRATE
Common Name English
4-(METHYLAMINE)-3-METHYL-1,2-DIPHENYL-2-BUTANOL PROPIONATE,HEMI CITRIC ACID
Common Name English
NOR-PROPOXYPHENE CITRATE
Common Name English
Code System Code Type Description
FDA UNII
ZWC8MXE10D
Created by admin on Sat Jun 26 03:27:53 UTC 2021 , Edited by admin on Sat Jun 26 03:27:53 UTC 2021
PRIMARY
CAS
68300-80-1
Created by admin on Sat Jun 26 03:27:53 UTC 2021 , Edited by admin on Sat Jun 26 03:27:53 UTC 2021
PRIMARY
PUBCHEM
71587236
Created by admin on Sat Jun 26 03:27:53 UTC 2021 , Edited by admin on Sat Jun 26 03:27:53 UTC 2021
PRIMARY
EPA CompTox
68300-80-1
Created by admin on Sat Jun 26 03:27:53 UTC 2021 , Edited by admin on Sat Jun 26 03:27:53 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
PARENT -> SALT/SOLVATE