FR-227369 MESYLATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H15N3O4S.CH4O3S
Molecular Weight	405.447
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CS(O)(=O)=O.CS(=O)(=O)C1=C2OCCC(=CC2=CC=C1)C(=O)NC(N)=N

InChI

InChIKey=LOUBXNMXUJWELA-UHFFFAOYSA-N

InChI=1S/C13H15N3O4S.CH4O3S/c1-21(18,19)10-4-2-3-8-7-9(5-6-20-11(8)10)12(17)16-13(14)15;1-5(2,3)4/h2-4,7H,5-6H2,1H3,(H4,14,15,16,17);1H3,(H,2,3,4)

HIDE SMILES / InChI

Molecular Formula	CH4O3S
Molecular Weight	96.106
Charge	0
Count

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

Molecular Formula	C13H15N3O4S
Molecular Weight	309.341
Charge	0
Count

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

Approval Year

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:23:04 GMT 2025` Edited by `admin` on `Mon Mar 31 22:23:04 GMT 2025`
Record UNII	PBY7778XMA
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FR-227369 MESYLATE

Common Name

English

FR-227369

Preferred Name

English

1-BENZOXEPIN-4-CARBOXAMIDE, N-(AMINOIMINOMETHYL)-2,3-DIHYDRO-9-(METHYLSULFONYL)-, MONOMETHANESULFONATE

Systematic Name

English

1-BENZOXEPIN-4-CARBOXAMIDE, N-(AMINOIMINOMETHYL)-2,3-DIHYDRO-9-(METHYLSULFONYL)-, METHANESULFONATE (1:1)

Systematic Name

English

Code System Code Type Description

CAS

248958-47-6

Created by admin on Mon Mar 31 22:23:04 GMT 2025 , Edited by admin on Mon Mar 31 22:23:04 GMT 2025

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FDA UNII

PBY7778XMA

Created by admin on Mon Mar 31 22:23:04 GMT 2025 , Edited by admin on Mon Mar 31 22:23:04 GMT 2025

PRIMARY

PUBCHEM

9865987

Created by admin on Mon Mar 31 22:23:04 GMT 2025 , Edited by admin on Mon Mar 31 22:23:04 GMT 2025

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					8PDR69P1RX

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