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

Details

Stereochemistry ACHIRAL
Molecular Formula C22H31ClN10
Molecular Weight 471.002
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N<SUP>1</SUP>-(6-((N-(N-(4-CHLOROPHENYL)CARBAMIMIDOYL)CARBAMIMIDOYL)AMINO)HEXYL)-N<SUP>3</SUP>-PHENYLIMIDODICARBONIMIDIC DIAMIDE

SMILES

ClC1=CC=C(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)NC2=CC=CC=C2)C=C1

InChI

InChIKey=DMBNEJKNEKJXJK-UHFFFAOYSA-N
InChI=1S/C22H31ClN10/c23-16-10-12-18(13-11-16)31-22(27)33-20(25)29-15-7-2-1-6-14-28-19(24)32-21(26)30-17-8-4-3-5-9-17/h3-5,8-13H,1-2,6-7,14-15H2,(H5,24,26,28,30,32)(H5,25,27,29,31,33)

HIDE SMILES / InChI

Molecular Formula C22H31ClN10
Molecular Weight 471.002
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 11:09:33 UTC 2023
Edited
by admin
on Sat Dec 16 11:09:33 UTC 2023
Record UNII
IAL2WG8Z42
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N<SUP>1</SUP>-(6-((N-(N-(4-CHLOROPHENYL)CARBAMIMIDOYL)CARBAMIMIDOYL)AMINO)HEXYL)-N<SUP>3</SUP>-PHENYLIMIDODICARBONIMIDIC DIAMIDE
Systematic Name English
CHLORHEXIDINE DIACETATE IMPURITY M [EP IMPURITY]
Common Name English
2-[6-[[Amino-[[amino(anilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine
Systematic Name English
2,4,11,13-Tetraazatetradecanediimidamide, N,SUP>1</SUP>-(4-chlorophenyl)-3,12-diimino-N<SUP>14<?SUP>-phenyl-
Systematic Name English
CHLORHEXIDINE DIHYDROCHLORIDE IMPURITY M [EP IMPURITY]
Common Name English
Code System Code Type Description
PUBCHEM
15224706
Created by admin on Sat Dec 16 11:09:33 UTC 2023 , Edited by admin on Sat Dec 16 11:09:33 UTC 2023
PRIMARY
CAS
152504-12-6
Created by admin on Sat Dec 16 11:09:33 UTC 2023 , Edited by admin on Sat Dec 16 11:09:33 UTC 2023
PRIMARY
FDA UNII
IAL2WG8Z42
Created by admin on Sat Dec 16 11:09:33 UTC 2023 , Edited by admin on Sat Dec 16 11:09:33 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP