BITOPERTIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H20F7N3O4S
Molecular Weight	543.455
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@H](OC1=CC=C(C=C1C(=O)N2CCN(CC2)C3=NC=C(C=C3F)C(F)(F)F)S(C)(=O)=O)C(F)(F)F

InChI

InChIKey=YUUGYIUSCYNSQR-LBPRGKRZSA-N

InChI=1S/C21H20F7N3O4S/c1-12(20(23,24)25)35-17-4-3-14(36(2,33)34)10-15(17)19(32)31-7-5-30(6-8-31)18-16(22)9-13(11-29-18)21(26,27)28/h3-4,9-12H,5-8H2,1-2H3/t12-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H20F7N3O4S
Molecular Weight	543.455
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:48:21 UTC 2023` Edited by `admin` on `Fri Dec 15 18:48:21 UTC 2023`
Record UNII	Q8L6AN59YY
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BITOPERTIN

Official Name

English

RG-1678

Code

English

Bitopertin [WHO-DD]

Common Name

English

DISC-1459

Code

English

(4-(3-FLUORO-5-(TRIFLUOROMETHYL)PYRIDIN-2-YL)PIPERAZIN-1-YL)(5-(METHANESULFONYL)-2-(((2S)-1,1,1-TRIFLUOROPROPAN-2-YL)OXY)PHENYL)METHANONE

Systematic Name

English

R-1678

Code

English

METHANONE, (4-(3-FLUORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL)-1-PIPERAZINYL)(5-(METHYLSULFONYL)-2-((1S)-2,2,2-TRIFLUORO-1-METHYLETHOXY)PHENYL)-

Systematic Name

English

RO-4917838

Code

English

PIPERAZINE, 1-(3-FLUORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL)-4-(5-(METHYLSULFONYL)-2-((1S)-2,2,2-TRIFLUORO-1-METHYLETHOXY)BENZOYL)-

Systematic Name

English

bitopertin [INN]

Common Name

English

RO-4917939

Code

English

(4-(3-FLUORO-5-TRIFLUOROMETHYLPYRIDIN-2-YL)PIPERAZIN-1-YL)(5-METHYLSULFONYL-2-(((S)-2,2,2-TRIFLUORO-1-METHYLETHYL)OXY)PHENYL)METHANONE

Systematic Name

English

RO4917838

Code

English

BITOPERTIN [USAN]

Common Name

English

PALIFLUTINE

Common Name

English

BITOPERTIN [JAN]

Common Name

English

(S)-(4-(3-FLUORO-5-TRIFLUOROMETHYLPYRIDIN-2-YL)PIPERAZIN-1-YL)(5-(METHANESULFONYL)-2-(2,2,2-TRIFLUORO-1-METHYLETHOXY)PHENYL)METHANONE

Systematic Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

916222