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

Details

Stereochemistry ACHIRAL
Molecular Formula C9H22N6.ClH
Molecular Weight 250.772
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(3-(DIETHYLAMINO)PROPYL)BIGUANIDE HYDROCHLORIDE

SMILES

Cl.CCN(CC)CCCNC(=N)NC(N)=N

InChI

InChIKey=GBNPLWLDSSLHCE-UHFFFAOYSA-N
InChI=1S/C9H22N6.ClH/c1-3-15(4-2)7-5-6-13-9(12)14-8(10)11;/h3-7H2,1-2H3,(H6,10,11,12,13,14);1H

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C9H22N6
Molecular Weight 214.3112
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 12:17:58 GMT 2023
Edited
by admin
on Sat Dec 16 12:17:58 GMT 2023
Record UNII
QPR3VVT6HF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-(3-(DIETHYLAMINO)PROPYL)BIGUANIDE HYDROCHLORIDE
Systematic Name English
IMIDODICARBONIMIDIC DIAMIDE, N-(3-(DIETHYLAMINO)PROPYL)-, HYDROCHLORIDE (1:1)
Common Name English
Code System Code Type Description
CAS
94134-17-5
Created by admin on Sat Dec 16 12:17:58 GMT 2023 , Edited by admin on Sat Dec 16 12:17:58 GMT 2023
PRIMARY
FDA UNII
QPR3VVT6HF
Created by admin on Sat Dec 16 12:17:58 GMT 2023 , Edited by admin on Sat Dec 16 12:17:58 GMT 2023
PRIMARY
PUBCHEM
11971280
Created by admin on Sat Dec 16 12:17:58 GMT 2023 , Edited by admin on Sat Dec 16 12:17:58 GMT 2023
PRIMARY
ECHA (EC/EINECS)
302-784-2
Created by admin on Sat Dec 16 12:17:58 GMT 2023 , Edited by admin on Sat Dec 16 12:17:58 GMT 2023
PRIMARY
EPA CompTox
DTXSID80240705
Created by admin on Sat Dec 16 12:17:58 GMT 2023 , Edited by admin on Sat Dec 16 12:17:58 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE