Nelutroctiv

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H22F5N3O4S
Molecular Weight	543.506
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12C[C@@]1([H])N([C@H](C2)C(=O)N[C@H](C3CC3)C4=CC(F)=C(C=C4F)C(F)(F)F)C(=O)C5=CC(=CN=C5)S(C)(=O)=O

InChI

InChIKey=BDIJXTIDFAIBQF-OOCUOIDPSA-N

InChI=1S/C24H22F5N3O4S/c1-37(35,36)14-4-13(9-30-10-14)23(34)32-19-5-12(19)6-20(32)22(33)31-21(11-2-3-11)15-7-18(26)16(8-17(15)25)24(27,28)29/h4,7-12,19-21H,2-3,5-6H2,1H3,(H,31,33)/t12-,19-,20-,21-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C24H22F5N3O4S
Molecular Weight	543.506
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:51:14 GMT 2023` Edited by `admin` on `Sat Dec 16 14:51:14 GMT 2023`
Record UNII	9PN6C05CTD
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Nelutroctiv

Official Name

English

nelutroctiv [INN]

Common Name

English

2-Azabicyclo[3.1.0]hexane-3-carboxamide, N-[(R)-cyclopropyl[2,5-difluoro-4-(trifluoromethyl)phenyl]methyl]-2-[[5-(methylsulfonyl)-3-pyridinyl]carbonyl]-, (1R,3R,5R)-

Systematic Name

English

(1R,3R,5R)-N-{(R)-cyclopropyl[2,5-difluoro-4- (trifluoromethyl)phenyl]methyl}-2-[5- (methanesulfonyl)pyridine-3-carbonyl]-2- azabicyclo[3.1.0]hexane-3-carboxamide

Systematic Name

English

Code System Code Type Description

PUBCHEM

137543908