NUTLIN-3B

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H30Cl2N4O4
Molecular Weight	581.49
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC(OC(C)C)=C(C=C1)C2=N[C@@H]([C@@H](N2C(=O)N3CCNC(=O)C3)C4=CC=C(Cl)C=C4)C5=CC=C(Cl)C=C5

InChI

InChIKey=BDUHCSBCVGXTJM-IZLXSDGUSA-N

InChI=1S/C30H30Cl2N4O4/c1-18(2)40-25-16-23(39-3)12-13-24(25)29-34-27(19-4-8-21(31)9-5-19)28(20-6-10-22(32)11-7-20)36(29)30(38)35-15-14-33-26(37)17-35/h4-13,16,18,27-28H,14-15,17H2,1-3H3,(H,33,37)/t27-,28+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C30H30Cl2N4O4
Molecular Weight	581.49
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 08:25:49 UTC 2023` Edited by `admin` on `Sat Dec 16 08:25:49 UTC 2023`
Record UNII	FJA1772CVW
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NUTLIN-3B

Common Name

English

2-PIPERAZINONE, 4-(((4R,5S)-4,5-BIS(4-CHLOROPHENYL)-4,5-DIHYDRO-2-(4-METHOXY-2-(1-METHYLETHOXY)PHENYL)-1H-IMIDAZOL-1-YL)CARBONYL)-

Systematic Name

English

4-(((4R,5S)-4,5-BIS(4-CHLOROPHENYL)-4,5-DIHYDRO-2-(4-METHOXY-2-(1-METHYLETHOXY)PHENYL)-1H-IMIDAZOL-1-YL)CARBONYL)-2-PIPERAZINONE

Systematic Name

English

Code System Code Type Description

CAS

675576-97-3

Created by admin on Sat Dec 16 08:25:49 UTC 2023 , Edited by admin on Sat Dec 16 08:25:49 UTC 2023

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PUBCHEM

16755649

Created by admin on Sat Dec 16 08:25:49 UTC 2023 , Edited by admin on Sat Dec 16 08:25:49 UTC 2023

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FDA UNII

FJA1772CVW

Created by admin on Sat Dec 16 08:25:49 UTC 2023 , Edited by admin on Sat Dec 16 08:25:49 UTC 2023

PRIMARY

EPA CompTox

DTXSID20217890

Created by admin on Sat Dec 16 08:25:49 UTC 2023 , Edited by admin on Sat Dec 16 08:25:49 UTC 2023

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NUTLIN-3

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