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

Details

Stereochemistry ACHIRAL
Molecular Formula C17H17N3O4
Molecular Weight 327.3346
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4'-CARBOETHOXYPHENYL 4-GUANIDINOBENZOATE

SMILES

CCOC(=O)C1=CC=C(OC(=O)C2=CC=C(NC(N)=N)C=C2)C=C1

InChI

InChIKey=QQEFLVAOLVLVTK-UHFFFAOYSA-N
InChI=1S/C17H17N3O4/c1-2-23-15(21)11-5-9-14(10-6-11)24-16(22)12-3-7-13(8-4-12)20-17(18)19/h3-10H,2H2,1H3,(H4,18,19,20)

HIDE SMILES / InChI

Molecular Formula C17H17N3O4
Molecular Weight 327.3346
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 14:04:16 GMT 2023
Edited
by admin
on Sat Dec 16 14:04:16 GMT 2023
Record UNII
KD8IS241OA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4'-CARBOETHOXYPHENYL 4-GUANIDINOBENZOATE
Systematic Name English
BENZOIC ACID, 4-((AMINOIMINOMETHYL)AMINO)-, 4-(ETHOXYCARBONYL)PHENYL ESTER
Systematic Name English
Code System Code Type Description
CAS
52134-52-8
Created by admin on Sat Dec 16 14:04:16 GMT 2023 , Edited by admin on Sat Dec 16 14:04:16 GMT 2023
PRIMARY
FDA UNII
KD8IS241OA
Created by admin on Sat Dec 16 14:04:16 GMT 2023 , Edited by admin on Sat Dec 16 14:04:16 GMT 2023
PRIMARY
PUBCHEM
55903
Created by admin on Sat Dec 16 14:04:16 GMT 2023 , Edited by admin on Sat Dec 16 14:04:16 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT