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Details

Stereochemistry ACHIRAL
Molecular Formula C10H13N3O2.HNO3
Molecular Weight 270.242
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl 3-guanidino-4-methylbenzoate nitrate

SMILES

O[N+]([O-])=O.COC(=O)C1=CC=C(C)C(NC(N)=N)=C1

InChI

InChIKey=SFHRCNFZNRMPOT-UHFFFAOYSA-N
InChI=1S/C10H13N3O2.HNO3/c1-6-3-4-7(9(14)15-2)5-8(6)13-10(11)12;2-1(3)4/h3-5H,1-2H3,(H4,11,12,13);(H,2,3,4)

HIDE SMILES / InChI

Molecular Formula C10H13N3O2
Molecular Weight 207.2291
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula HNO3
Molecular Weight 63.0128
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 19:15:50 GMT 2023
Edited
by admin
on Sat Dec 16 19:15:50 GMT 2023
Record UNII
UUW6G6TQ72
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Methyl 3-guanidino-4-methylbenzoate nitrate
Common Name English
Benzoic acid, 3-[(aminoiminomethyl)amino]-4-methyl-, methyl ester, nitrate (1:1)
Systematic Name English
Code System Code Type Description
FDA UNII
UUW6G6TQ72
Created by admin on Sat Dec 16 19:15:50 GMT 2023 , Edited by admin on Sat Dec 16 19:15:50 GMT 2023
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CAS
1025716-99-7
Created by admin on Sat Dec 16 19:15:50 GMT 2023 , Edited by admin on Sat Dec 16 19:15:50 GMT 2023
PRIMARY
PUBCHEM
46863880
Created by admin on Sat Dec 16 19:15:50 GMT 2023 , Edited by admin on Sat Dec 16 19:15:50 GMT 2023
PRIMARY