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

Details

Stereochemistry RACEMIC
Molecular Formula C13H16Cl2N2O
Molecular Weight 287.185
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N,N‐Didesethyl‐N‐desmethyl‐U‐49900

SMILES

N[C@@H]1CCCC[C@H]1NC(=O)C2=CC(Cl)=C(Cl)C=C2

InChI

InChIKey=PSVHZOSPCCQDHN-VXGBXAGGSA-N
InChI=1S/C13H16Cl2N2O/c14-9-6-5-8(7-10(9)15)13(18)17-12-4-2-1-3-11(12)16/h5-7,11-12H,1-4,16H2,(H,17,18)/t11-,12-/m1/s1

HIDE SMILES / InChI

Molecular Formula C13H16Cl2N2O
Molecular Weight 287.185
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:48:14 UTC 2023
Edited
by admin
on Sat Dec 16 19:48:14 UTC 2023
Record UNII
XTM7UFP4K5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N,N‐Didesethyl‐N‐desmethyl‐U‐49900
Common Name English
Benzamide, N-[(1R,2R)-2-aminocyclohexyl]-3,4-dichloro-, rel-
Systematic Name English
Code System Code Type Description
PUBCHEM
6338026
Created by admin on Sat Dec 16 19:48:15 UTC 2023 , Edited by admin on Sat Dec 16 19:48:15 UTC 2023
PRIMARY
FDA UNII
XTM7UFP4K5
Created by admin on Sat Dec 16 19:48:15 UTC 2023 , Edited by admin on Sat Dec 16 19:48:15 UTC 2023
PRIMARY
CAS
1988538-98-2
Created by admin on Sat Dec 16 19:48:15 UTC 2023 , Edited by admin on Sat Dec 16 19:48:15 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE INACTIVE
Major metabolite found in Urine
MAJOR