Canocapavir

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H21BrFN5O3
Molecular Weight	562.39
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

FC1=CC=C(C=C1)C2=NN(C=C2[C@H]3OCC(=O)N3CCC4=CC=C5NC(=O)NC5=C4)C6=CC=C(Br)C=C6

InChI

InChIKey=YGPZZDKSASSELG-AREMUKBSSA-N

InChI=1S/C27H21BrFN5O3/c28-18-4-8-20(9-5-18)34-14-21(25(32-34)17-2-6-19(29)7-3-17)26-33(24(35)15-37-26)12-11-16-1-10-22-23(13-16)31-27(36)30-22/h1-10,13-14,26H,11-12,15H2,(H2,30,31,36)/t26-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C27H21BrFN5O3
Molecular Weight	562.39
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 `Sat Dec 16 15:38:41 GMT 2023` Edited by `admin` on `Sat Dec 16 15:38:41 GMT 2023`
Record UNII	ITF8H4SZR1
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Canocapavir

Official Name

English

5-[2-[(2R)-2-[1-(4-Bromophenyl)-3-(4-fluorophenyl)-1H-pyrazol-4-yl]-4-oxo-3-oxazolidinyl]ethyl]-1,3-dihydro-2H-benzimidazol-2-one

Systematic Name

English

2H-BENZIMIDAZOL-2-ONE, 5-(2-((2R)-2-(1-(4-BROMOPHENYL)-3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL)-4-OXO-3-OXAZOLIDINYL)ETHYL)-1,3-DIHYDRO-

Systematic Name

English

Canocapavir [INN]

Common Name

English

5-(2-{(2R)-2-[1-(4-bromophenyl)-3-(4-fluorophenyl)-1Hpyrazol- 4-yl]-4-oxo-1,3-oxazolidin-3-yl}ethyl)-1,3- dihydro-2H-benzimidazol-2-one

Systematic Name

English

Code System Code Type Description

SMS_ID

300000046257