ORC-13661 mesylate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H19ClN4O2S.CH4O3S
Molecular Weight	486.993
Optical Activity	( + )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CS(O)(=O)=O.CN1[C@H]2CC[C@@H]1C3=C(C2)SC(NC(=O)NC4=CC=C(Cl)C=C4)=C3C(N)=O

InChI

InChIKey=JJCBKQOZPPQYFH-ZVWHLABXSA-N

InChI=1S/C18H19ClN4O2S.CH4O3S/c1-23-11-6-7-12(23)14-13(8-11)26-17(15(14)16(20)24)22-18(25)21-10-4-2-9(19)3-5-10;1-5(2,3)4/h2-5,11-12H,6-8H2,1H3,(H2,20,24)(H2,21,22,25);1H3,(H,2,3,4)/t11-,12+;/m0./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	C18H19ClN4O2S
Molecular Weight	390.887
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 22:24:19 GMT 2025` Edited by `admin` on `Tue Apr 01 22:24:19 GMT 2025`
Record UNII	2IVM4YQ5B9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4,6-Ethanothieno[3,2-c]pyridine-3-carboxamide, 2-[[[(4-chlorophenyl)amino]carbonyl]amino]-4,5,6,7-tetrahydro-5-methyl-, (4R,6S)-, methanesulfonate (1:1)

Preferred Name

English

ORC-13661 mesylate

Code

English

(1R,8S)-4-{[(4-chlorophenyl)carbamoyl]amino}-11-methyl-5-thia-11-azatricyclo[6.2.1.0<sup>2,6</sup>]undeca-2-(6),3-diene-3-carboxamide methanesulfonate

Systematic Name

English

Code System Code Type Description

PUBCHEM

155253808

Created by admin on Tue Apr 01 22:24:20 GMT 2025 , Edited by admin on Tue Apr 01 22:24:20 GMT 2025

PRIMARY

SMS_ID

300000054618

Created by admin on Tue Apr 01 22:24:20 GMT 2025 , Edited by admin on Tue Apr 01 22:24:20 GMT 2025

PRIMARY

FDA UNII

2IVM4YQ5B9

Created by admin on Tue Apr 01 22:24:20 GMT 2025 , Edited by admin on Tue Apr 01 22:24:20 GMT 2025

PRIMARY

CAS

2295844-90-3

Created by admin on Tue Apr 01 22:24:20 GMT 2025 , Edited by admin on Tue Apr 01 22:24:20 GMT 2025

PRIMARY

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