REBEMADLIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H30Cl2N4O4
Molecular Weight	581.49
Optical Activity	( - )
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-WUFINQPMSA-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+/m0/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 08:25:48 UTC 2023` Edited by `admin` on `Sat Dec 16 08:25:48 UTC 2023`
Record UNII	L7C92IOE65
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

REBEMADLIN

Official Name

English

NUTLIN-3A

Common Name

English

SML-0580

Code

English

(-)-NUTLIN 3

Common Name

English

4-(((4S,5R)-4,5-BIS(4-CHLOROPHENYL)-2-(2-ISOPROPOXY-4-METHOXYPHENYL)-4,5-DIHYDROIMIDAZOL-1-YL)CARBONYL)PIPERAZIN-2-ONE

Systematic Name

English

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

Systematic Name

English

rebemadlin [INN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C274