GCC-4401C

Investigational

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H18ClN5O3S.CH4O3S
Molecular Weight	515.991
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CS(O)(=O)=O.ClC1=CC=C(S1)C(=O)NC[C@H]2CN(C(=O)O2)C3=CC=C(C=C3)N4CCNC=N4

InChI

InChIKey=YSNDMQDQQLSJMR-UQKRIMTDSA-N

InChI=1S/C18H18ClN5O3S.CH4O3S/c19-16-6-5-15(28-16)17(25)21-9-14-10-23(18(26)27-14)12-1-3-13(4-2-12)24-8-7-20-11-22-24;1-5(2,3)4/h1-6,11,14H,7-10H2,(H,20,22)(H,21,25);1H3,(H,2,3,4)/t14-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C18H18ClN5O3S
Molecular Weight	419.885
Charge	0
Count

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

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 01:34:59 UTC 2023` Edited by `admin` on `Sat Dec 16 01:34:59 UTC 2023`
Record UNII	L97P2G5S38
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

GCC-4401C

Code

English

2-THIOPHENECARBOXAMIDE, 5-CHLORO-N-(((5S)-3-(4-(5,6-DIHYDRO-1,2,4-TRIAZIN-1(2H)-YL)PHENYL)-2-OXO-5-OXAZOLIDINYL)METHYL)-, METHANESULFONATE (1:1)

Systematic Name

English

Code System Code Type Description

FDA UNII

L97P2G5S38

Created by admin on Sat Dec 16 01:34:59 UTC 2023 , Edited by admin on Sat Dec 16 01:34:59 UTC 2023

PRIMARY

PUBCHEM

49839478

Created by admin on Sat Dec 16 01:34:59 UTC 2023 , Edited by admin on Sat Dec 16 01:34:59 UTC 2023

PRIMARY

CAS

1261138-12-8

Created by admin on Sat Dec 16 01:34:59 UTC 2023 , Edited by admin on Sat Dec 16 01:34:59 UTC 2023

PRIMARY

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