OCEDURENONE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H30ClN5O2
Molecular Weight	504.023
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12CCC3=C(C=CC(=N3)C(=O)N4CCC(O)CC4)C1=NN([C@H]2C5CCCC5)C6=CC=C(C#N)C(Cl)=C6

InChI

InChIKey=UXHQLGLGLZKHTC-CUNXSJBXSA-N

InChI=1S/C28H30ClN5O2/c29-23-15-19(6-5-18(23)16-30)34-27(17-3-1-2-4-17)22-8-9-24-21(26(22)32-34)7-10-25(31-24)28(36)33-13-11-20(35)12-14-33/h5-7,10,15,17,20,22,27,35H,1-4,8-9,11-14H2/t22-,27-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C28H30ClN5O2
Molecular Weight	504.023
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 09:05:26 GMT 2023` Edited by `admin` on `Sat Dec 16 09:05:26 GMT 2023`
Record UNII	L46509378R
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

OCEDURENONE

Official Name

English

KBP5074

Code

English

2-CHLORO-4-((3S,3AR)-3-CYCLOPENTYL-7-((4-HYDROXY-1-PIPERIDINYL)CARBONYL)-3,3A,4,5-TETRAHYDRO-2H-PYRAZOLO(3,4-F)QUINOLIN-2-YL)BENZONITRILE

Systematic Name

English

BENZONITRILE, 2-CHLORO-4-((3S,3AR)-3-CYCLOPENTYL-3,3A,4,5-TETRAHYDRO-7-((4-HYDROXY-1-PIPERIDINYL)CARBONYL)-2H-PYRAZOLO(3,4-F)QUINOLIN-2-YL)-

Systematic Name

English

ocedurenone [INN]

Common Name

English

KBP-5074

Code

English

Code System Code Type Description

NCI_THESAURUS

C184917