3-[(Aminoiminomethyl)amino]-4-methylbenzoic acid ethyl ester mononitrate

Details

Stereochemistry	ACHIRAL
Molecular Formula	C11H16N3O2.NO3
Molecular Weight	284.2685
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-[(Aminoiminomethyl)amino]-4-methylbenzoic acid ethyl ester mononitrate

Structure Search

SMILES

[O-][N+]([O-])=O.CCOC(=O)C1=CC(NC(N)=[NH2+])=C(C)C=C1

InChI

InChIKey=WYBVVYLQEDPPFH-UHFFFAOYSA-O

InChI=1S/C11H15N3O2.NO3/c1-3-16-10(15)8-5-4-7(2)9(6-8)14-11(12)13;2-1(3)4/h4-6H,3H2,1-2H3,(H4,12,13,14);/q;-1/p+1

HIDE SMILES / InChI

Molecular Formula	C11H16N3O2
Molecular Weight	222.2636
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	NO3
Molecular Weight	62.0049
Charge	-1
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 20:21:45 GMT 2023` Edited by `admin` on `Sat Dec 16 20:21:45 GMT 2023`
Record UNII	3W2A9G6MC4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-[(Aminoiminomethyl)amino]-4-methylbenzoic acid ethyl ester mononitrate

Systematic Name

English

Ethyl 3-guanidino-4-methylbenzoate nitrate

Systematic Name

English

Benzoic acid, 3-[(aminoiminomethyl)amino]-4-methyl-, ethyl ester, mononitrate

Systematic Name

English

Benzoic acid, 3-[(aminoiminomethyl)amino]-4-methyl-, ethyl ester, nitrate (1:1)

Systematic Name

English

Code System Code Type Description

CAS

2733273-19-1

Created by admin on Sat Dec 16 20:21:45 GMT 2023 , Edited by admin on Sat Dec 16 20:21:45 GMT 2023

SUPERSEDED

CAS

641569-96-2

Created by admin on Sat Dec 16 20:21:45 GMT 2023 , Edited by admin on Sat Dec 16 20:21:45 GMT 2023

PRIMARY

CAS

1629155-56-1

Created by admin on Sat Dec 16 20:21:45 GMT 2023 , Edited by admin on Sat Dec 16 20:21:45 GMT 2023

SUPERSEDED

FDA UNII

3W2A9G6MC4

Created by admin on Sat Dec 16 20:21:45 GMT 2023 , Edited by admin on Sat Dec 16 20:21:45 GMT 2023

PRIMARY

Related Record Type Details


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3-[(Aminoiminomethyl)amino]-4-methylbenzoic acid ethyl ester

PARENT -> SALT/SOLVATE

Amount: