Lonitoclax

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C43H45ClN4O5
Molecular Weight	733.294
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=C(C)C(CN(C(=O)C2=C(C)N(C)C(=C2)C3=CC(Cl)=CC=C3C(=O)N4CC5=CC=CC=C5C[C@H]4CN6CCOCC6)C7=CC=C(O)C=C7)=CC=C1

InChI

InChIKey=CEWHUBSABMOQQC-DHUJRADRSA-N

InChI=1S/C43H45ClN4O5/c1-28-31(10-7-11-41(28)52-4)25-47(34-13-15-36(49)16-14-34)43(51)38-24-40(45(3)29(38)2)39-23-33(44)12-17-37(39)42(50)48-26-32-9-6-5-8-30(32)22-35(48)27-46-18-20-53-21-19-46/h5-17,23-24,35,49H,18-22,25-27H2,1-4H3/t35-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C43H45ClN4O5
Molecular Weight	733.294
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 `Wed Apr 02 21:17:19 GMT 2025` Edited by `admin` on `Wed Apr 02 21:17:19 GMT 2025`
Record UNII	76NBC3X6A3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1H-Pyrrole-3-carboxamide, 5-[5-chloro-2-[[(3S)-3,4-dihydro-3-(4-morpholinylmethyl)-2(1H)-isoquinolinyl]carbonyl]phenyl]-N-(4-hydroxyphenyl)-N-[(3-methoxy-2-methylphenyl)methyl]-1,2-dimethyl-

Preferred Name

English

Lonitoclax

Official Name

English

lonitoclax [INN]

Common Name

English

5-{5-Chloro-2-[(3S)-3-[(morpholin-4-yl)methyl]-3,4-dihydroisoquinoline-2(1H)-carbonyl]phenyl}-N-(4-hydroxyphenyl)-N-[(3-methoxy-2-methylphenyl)methyl]-1,2-dimethyl-1H-pyrrole-3-carboxamide

Systematic Name

English

5-(5-Chloro-2-(((3S)-3-(morpholin-4-ylmethyl)-3,4-dihydroisoquinolin-2-(1-H)-yl)carbonyl)phenyl)-N-4-hydroxyphenyl)-N-(3-methoxy-2-methylbenzyl)-1,2-dimethyl-1H-pyrrole-3-carboxamide

Systematic Name

English

Code System Code Type Description

CAS

2952589-57-8

Created by admin on Wed Apr 02 21:17:19 GMT 2025 , Edited by admin on Wed Apr 02 21:17:19 GMT 2025

PRIMARY

FDA UNII

76NBC3X6A3

Created by admin on Wed Apr 02 21:17:19 GMT 2025 , Edited by admin on Wed Apr 02 21:17:19 GMT 2025

PRIMARY

INN

13360

Created by admin on Wed Apr 02 21:17:19 GMT 2025 , Edited by admin on Wed Apr 02 21:17:19 GMT 2025

PRIMARY

PUBCHEM

168969724

Created by admin on Wed Apr 02 21:17:19 GMT 2025 , Edited by admin on Wed Apr 02 21:17:19 GMT 2025

PRIMARY

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APOPTOSIS REGULATOR BCL-2

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					76NBC3X6A3

Lonitoclax

ACTIVE MOIETY

Amount: