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

Details

Stereochemistry ACHIRAL
Molecular Formula 2C10H15N3.H2O4S
Molecular Weight 452.571
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-PHENYLPROPYLGUANIDINE BISULFATE

SMILES

OS(O)(=O)=O.NC(=N)NCCCC1=CC=CC=C1.NC(=N)NCCCC2=CC=CC=C2

InChI

InChIKey=AFKGADHIDKMXRU-UHFFFAOYSA-N
InChI=1S/2C10H15N3.H2O4S/c2*11-10(12)13-8-4-7-9-5-2-1-3-6-9;1-5(2,3)4/h2*1-3,5-6H,4,7-8H2,(H4,11,12,13);(H2,1,2,3,4)

HIDE SMILES / InChI

Molecular Formula C10H15N3
Molecular Weight 177.2462
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula H2O4S
Molecular Weight 98.078
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 08:57:39 GMT 2023
Edited
by admin
on Sat Dec 16 08:57:39 GMT 2023
Record UNII
I8QKJ0Y68V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-PHENYLPROPYLGUANIDINE BISULFATE
Systematic Name English
3-PHENYLPROPYLGUANIDINE HYDROGEN SULFATE
Systematic Name English
GUANIDINE, (3-PHENYLPROPYL)-, SULFATE (2:1)
Systematic Name English
NSC-20598
Code English
3-PHENYLPROPYLGUANIDINE HEMISULFATE
Common Name English
Code System Code Type Description
FDA UNII
I8QKJ0Y68V
Created by admin on Sat Dec 16 08:57:39 GMT 2023 , Edited by admin on Sat Dec 16 08:57:39 GMT 2023
PRIMARY
EPA CompTox
DTXSID90715398
Created by admin on Sat Dec 16 08:57:39 GMT 2023 , Edited by admin on Sat Dec 16 08:57:39 GMT 2023
PRIMARY
NSC
20598
Created by admin on Sat Dec 16 08:57:39 GMT 2023 , Edited by admin on Sat Dec 16 08:57:39 GMT 2023
PRIMARY
CAS
147863-97-6
Created by admin on Sat Dec 16 08:57:39 GMT 2023 , Edited by admin on Sat Dec 16 08:57:39 GMT 2023
NON-SPECIFIC STOICHIOMETRY
PUBCHEM
86278119
Created by admin on Sat Dec 16 08:57:39 GMT 2023 , Edited by admin on Sat Dec 16 08:57:39 GMT 2023
PRIMARY
CAS
2551-71-5
Created by admin on Sat Dec 16 08:57:39 GMT 2023 , Edited by admin on Sat Dec 16 08:57:39 GMT 2023
PRIMARY