BAFREKALANT

Details

Stereochemistry	ACHIRAL
Molecular Formula	C29H31ClN6O2
Molecular Weight	531.048
Optical Activity	NONE
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=NC(C(=O)N2[C@H]3CC[C@@H]2CN(CC4=C(N=C5N=CC=CN45)C6=CC=C(C=C6)C(C)C)C3)=C(Cl)C=C1

InChI

InChIKey=VDKJCAWGDJJKNL-SZPZYZBQSA-N

InChI=1S/C29H31ClN6O2/c1-18(2)19-5-7-20(8-6-19)26-24(35-14-4-13-31-29(35)33-26)17-34-15-21-9-10-22(16-34)36(21)28(37)27-23(30)11-12-25(32-27)38-3/h4-8,11-14,18,21-22H,9-10,15-17H2,1-3H3/t21-,22+

HIDE SMILES / InChI

Molecular Formula	C29H31ClN6O2
Molecular Weight	531.048
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 18:54:02 GMT 2023` Edited by `admin` on `Sat Dec 16 18:54:02 GMT 2023`
Record UNII	W27RSH2UEF
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BAFREKALANT

Official Name

English

METHANONE, (3-CHLORO-6-METHOXY-2-PYRIDINYL)(3-((2-(4-(1-METHYLETHYL)PHENYL)IMIDAZO(1,2-A)PYRIMIDIN-3-YL)METHYL)-3,8-DIAZABICYCLO(3.2.1)OCT-8-YL)-

Systematic Name

English

bafrekalant [INN]

Common Name

English

(3-CHLORO-6-METHOXYPYRIDIN-2-YL)(3-((2-(4-ISOPROPYLPHENYL)IMIDAZO(1,2-A)PYRIMIDIN-3-YL)METHYL)-3,8-DIAZABICYCLO(3.2.1)OCTAN-8-YL)METHANONE

Systematic Name

English

Code System Code Type Description

FDA UNII

W27RSH2UEF