Casdatifan

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H17F4NO3S
Molecular Weight	439.423
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CS(=O)(=O)C1=CC=C([C@H]2C[C@H](F)[C@H](F)C3=CC(F)=CC(C#N)=C23)C4=C1[C@H](O)[C@H](F)C4

InChI

InChIKey=KHBHHNNBNHHGPE-QCCZFBHPSA-N

InChI=1S/C21H17F4NO3S/c1-30(28,29)17-3-2-11(13-7-16(24)21(27)19(13)17)12-6-15(23)20(25)14-5-10(22)4-9(8-26)18(12)14/h2-5,12,15-16,20-21,27H,6-7H2,1H3/t12-,15+,16-,20-,21-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C21H17F4NO3S
Molecular Weight	439.423
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 14:51:13 GMT 2025` Edited by `admin` on `Wed Apr 02 14:51:13 GMT 2025`
Record UNII	DP73UWL6LE
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Casdatifan

Official Name

English

casdatifan [INN]

Preferred Name

English

(5R,6S,8R)-3,5,6-trifluoro-8-[(1S,2R)-2-fluoro-1-hydroxy-7-(methanesulfonyl)-2,3-dihydro-1H-inden-4-yl]-5,6,7,8-tetrahydronaphthalene-1-carbonitrile

Systematic Name

English

1-Naphthalenecarbonitrile, 3,5,6-trifluoro-8-[(1S,2R)-2-fluoro-2,3-dihydro-1-hydroxy-7-(methylsulfonyl)-1H-inden-4-yl]-5,6,7,8-tetrahydro-, (5R,6S,8R)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

156859185