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Details

Stereochemistry ACHIRAL
Molecular Formula C10H14ClN3.C4H4O4
Molecular Weight 327.763
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of NS-3956

SMILES

OC(=O)\C=C\C(O)=O.ClC1=CN=CC(=C1)N2CCCNCC2

InChI

InChIKey=KOTJOMATMCXZOH-WLHGVMLRSA-N
InChI=1S/C10H14ClN3.C4H4O4/c11-9-6-10(8-13-7-9)14-4-1-2-12-3-5-14;5-3(6)1-2-4(7)8/h6-8,12H,1-5H2;1-2H,(H,5,6)(H,7,8)/b;2-1+

HIDE SMILES / InChI

Molecular Formula C4H4O4
Molecular Weight 116.0722
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Molecular Formula C10H14ClN3
Molecular Weight 211.691
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 Dec 16 08:26:51 GMT 2023
Edited
by admin
on Sat Dec 16 08:26:51 GMT 2023
Record UNII
RRX5KAR96K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NS-3956
Code English
1H-1,4-DIAZEPINE, 1-(5-CHLORO-3-PYRIDINYL)HEXAHYDRO-, (2E)-2-BUTENEDIOATE (1:1)
Systematic Name English
NS3956
Code English
1-(5-CHLORO-3-PYRIDYL)HOMOPIPERAZINE FUMARIC ACID SALT
Systematic Name English
Code System Code Type Description
FDA UNII
RRX5KAR96K
Created by admin on Sat Dec 16 08:26:51 GMT 2023 , Edited by admin on Sat Dec 16 08:26:51 GMT 2023
PRIMARY
CAS
223796-91-6
Created by admin on Sat Dec 16 08:26:51 GMT 2023 , Edited by admin on Sat Dec 16 08:26:51 GMT 2023
PRIMARY
PUBCHEM
131725809
Created by admin on Sat Dec 16 08:26:51 GMT 2023 , Edited by admin on Sat Dec 16 08:26:51 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY