Lenumlostat mesylate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H17F4N3O3.CH4O3S
Molecular Weight	495.445
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CS(O)(=O)=O.NCC1=CC(=NC(OC2=CC(=CC=C2)C(=O)N3C[C@@H](O)[C@H](F)C3)=C1)C(F)(F)F

InChI

InChIKey=FNUHFAFCXUWHCH-DTPOWOMPSA-N

InChI=1S/C18H17F4N3O3.CH4O3S/c19-13-8-25(9-14(13)26)17(27)11-2-1-3-12(6-11)28-16-5-10(7-23)4-15(24-16)18(20,21)22;1-5(2,3)4/h1-6,13-14,26H,7-9,23H2;1H3,(H,2,3,4)/t13-,14-;/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	C18H17F4N3O3
Molecular Weight	399.3395
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 17:04:40 UTC 2023` Edited by `admin` on `Sat Dec 16 17:04:40 UTC 2023`
Record UNII	G5628N5SH2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Lenumlostat mesylate

Common Name

English

(3-((4-(AMINOMETHYL)-6-(TRIFLUOROMETHYL)-2-PYRIDINYL)OXY)PHENYL)((3R,4R)-3-FLUORO-4-HYDROXY-1-PYRROLIDINYL)METHANONE METHANESULFONATE

Systematic Name

English

PAT-1251 METHANESULFONATE

Code

English

PAT-1251 MESILATE

Common Name

English

METHANONE, (3-((4-(AMINOMETHYL)-6-(TRIFLUOROMETHYL)-2-PYRIDINYL)OXY)PHENYL)((3R,4R)-3-FLUORO-4-HYDROXY-1-PYRROLIDINYL)-, METHANESULFONATE (1:1)

Systematic Name

English

PAT-1251 MESYLATE

Code

English

Code System Code Type Description

SMS_ID

300000028792

Created by admin on Sat Dec 16 17:04:40 UTC 2023 , Edited by admin on Sat Dec 16 17:04:40 UTC 2023

PRIMARY

FDA UNII

G5628N5SH2

Created by admin on Sat Dec 16 17:04:40 UTC 2023 , Edited by admin on Sat Dec 16 17:04:40 UTC 2023

PRIMARY

PUBCHEM

154731649

Created by admin on Sat Dec 16 17:04:40 UTC 2023 , Edited by admin on Sat Dec 16 17:04:40 UTC 2023

PRIMARY

CAS

2205037-03-0

Created by admin on Sat Dec 16 17:04:40 UTC 2023 , Edited by admin on Sat Dec 16 17:04:40 UTC 2023

PRIMARY

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