CP-74667 MESYLATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H22FN3O3.CH4O3S
Molecular Weight	467.511
Optical Activity	UNSPECIFIED
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]1CN(C2)C3=CC4=C(C=C3F)C(=O)C(=CN4C5CC5)C(O)=O

InChI

InChIKey=JXRWJBNGNIFCBX-OEEJBDNKSA-N

InChI=1S/C20H22FN3O3.CH4O3S/c1-22-12-4-5-13(22)9-23(8-12)18-7-17-14(6-16(18)21)19(25)15(20(26)27)10-24(17)11-2-3-11;1-5(2,3)4/h6-7,10-13H,2-5,8-9H2,1H3,(H,26,27);1H3,(H,2,3,4)/t12-,13+;

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	C20H22FN3O3
Molecular Weight	371.4054
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 `Sat Dec 16 01:57:19 GMT 2023` Edited by `admin` on `Sat Dec 16 01:57:19 GMT 2023`
Record UNII	96Z3H79YX9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CP-74667 MESYLATE

Common Name

English

3-QUINOLINECARBOXYLIC ACID, 1-CYCLOPROPYL-6-FLUORO-1,4-DIHYDRO-7-(8-METHYL-3,8-DIAZABICYCLO(3.2.1)OCT-3-YL)-4-OXO-, METHANESULFONATE (1:1)

Common Name

English

Code System Code Type Description

PUBCHEM

71587505

Created by admin on Sat Dec 16 01:57:19 GMT 2023 , Edited by admin on Sat Dec 16 01:57:19 GMT 2023

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CAS

138808-71-6

Created by admin on Sat Dec 16 01:57:19 GMT 2023 , Edited by admin on Sat Dec 16 01:57:19 GMT 2023

PRIMARY

EPA CompTox

DTXSID00160799

Created by admin on Sat Dec 16 01:57:19 GMT 2023 , Edited by admin on Sat Dec 16 01:57:19 GMT 2023

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FDA UNII

96Z3H79YX9

Created by admin on Sat Dec 16 01:57:19 GMT 2023 , Edited by admin on Sat Dec 16 01:57:19 GMT 2023

PRIMARY

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CP-74667

ACTIVE MOIETY