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

Details

Stereochemistry ACHIRAL
Molecular Formula C8H10ClN5
Molecular Weight 211.652
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (4-CHLOROPHENYL)BIGUANIDE

SMILES

NC(=N)NC(=N)NC1=CC=C(Cl)C=C1

InChI

InChIKey=HTYFFCPFVMJTKM-UHFFFAOYSA-N
InChI=1S/C8H10ClN5/c9-5-1-3-6(4-2-5)13-8(12)14-7(10)11/h1-4H,(H6,10,11,12,13,14)

HIDE SMILES / InChI

Molecular Formula C8H10ClN5
Molecular Weight 211.652
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
61UQ98597T
Record Status Validated (UNII)
Record Version