GEPOTIDACIN MESYLATE ANHYDROUS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H28N6O3.CH4O3S
Molecular Weight	544.623
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of GEPOTIDACIN MESYLATE ANHYDROUS

Structure Search

SMILES

CS(O)(=O)=O.O=C1C=CC2=C3N1C[C@@H](CN4CCC(CC4)NCC5=CC6=C(OCCC6)C=N5)N3C(=O)C=N2

InChI

InChIKey=ISCBDQIDBOQJCT-FSRHSHDFSA-N

InChI=1S/C24H28N6O3.CH4O3S/c31-22-4-3-20-24-29(22)15-19(30(24)23(32)13-27-20)14-28-7-5-17(6-8-28)25-11-18-10-16-2-1-9-33-21(16)12-26-18;1-5(2,3)4/h3-4,10,12-13,17,19,25H,1-2,5-9,11,14-15H2;1H3,(H,2,3,4)/t19-;/m1./s1

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	C24H28N6O3
Molecular Weight	448.5175
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 05:18:40 UTC 2023` Edited by `admin` on `Sat Dec 16 05:18:40 UTC 2023`
Record UNII	HST809JCP3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

GEPOTIDACIN MESYLATE ANHYDROUS

Common Name

English

3H,8H-2A,5,8A-TRIAZAACENAPHTHYLENE-3,8-DIONE, 2-((4-(((3,4-DIHYDRO-2H-PYRANO(2,3-C)PYRIDIN-6-YL)METHYL)AMINO)-1-PIPERIDINYL)METHYL)-1,2-DIHYDRO-, (2R)-, METHANESULFONATE (1:1)

Systematic Name

English

Code System Code Type Description

PUBCHEM

91617950

Created by admin on Sat Dec 16 05:18:40 UTC 2023 , Edited by admin on Sat Dec 16 05:18:40 UTC 2023

PRIMARY

FDA UNII

HST809JCP3

Created by admin on Sat Dec 16 05:18:40 UTC 2023 , Edited by admin on Sat Dec 16 05:18:40 UTC 2023

PRIMARY

SMS_ID