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Details

Stereochemistry ACHIRAL
Molecular Formula C17H17N3O4.ClH
Molecular Weight 363.796
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

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

SMILES

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

InChI

InChIKey=XMXUDKUDGCGBCB-UHFFFAOYSA-N
InChI=1S/C17H17N3O4.ClH/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);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 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 Fri Dec 15 15:49:00 GMT 2023
Edited
by admin
on Fri Dec 15 15:49:00 GMT 2023
Record UNII
NC5COP3XA3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4'-CARBOETHOXYPHENYL 4-GUANIDINOBENZOATE HYDROCHLORIDE
Systematic Name English
BENZOIC ACID, 4-((AMINOIMINOMETHYL)AMINO)-, 4-(ETHOXYCARBONYL)PHENYL ESTER, HYDROCHLORIDE (1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
3033741
Created by admin on Fri Dec 15 15:49:00 GMT 2023 , Edited by admin on Fri Dec 15 15:49:00 GMT 2023
PRIMARY
FDA UNII
NC5COP3XA3
Created by admin on Fri Dec 15 15:49:00 GMT 2023 , Edited by admin on Fri Dec 15 15:49:00 GMT 2023
PRIMARY
EPA CompTox
DTXSID30237483
Created by admin on Fri Dec 15 15:49:00 GMT 2023 , Edited by admin on Fri Dec 15 15:49:00 GMT 2023
PRIMARY
CAS
89022-08-2
Created by admin on Fri Dec 15 15:49:00 GMT 2023 , Edited by admin on Fri Dec 15 15:49:00 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE