BIRINAPANT

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C42H56F2N8O6
Molecular Weight	806.9408
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1C[C@@H](O)C[C@H]1CC2=C(NC3=CC(F)=CC=C23)C4=C(C[C@@H]5C[C@H](O)CN5C(=O)[C@H](CC)NC(=O)[C@H](C)NC)C6=CC=C(F)C=C6N4

InChI

InChIKey=PKWRMUKBEYJEIX-DXXQBUJASA-N

InChI=1S/C42H56F2N8O6/c1-7-33(49-39(55)21(3)45-5)41(57)51-19-27(53)15-25(51)17-31-29-11-9-23(43)13-35(29)47-37(31)38-32(30-12-10-24(44)14-36(30)48-38)18-26-16-28(54)20-52(26)42(58)34(8-2)50-40(56)22(4)46-6/h9-14,21-22,25-28,33-34,45-48,53-54H,7-8,15-20H2,1-6H3,(H,49,55)(H,50,56)/t21-,22-,25-,26-,27-,28-,33-,34-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C42H56F2N8O6
Molecular Weight	806.9408
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:57:43 UTC 2023` Edited by `admin` on `Fri Dec 15 17:57:43 UTC 2023`
Record UNII	6O4Z07B57R
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BIRINAPANT

Official Name

English

BIRINAPANT [USAN]

Common Name

English

PROPANAMIDE, N,N'-((6,6'-DIFLUORO(2,2'-BI-1H-INDOLE)-3,3'-DIYL)BIS(METHYLENE((2R,4S)-4-HYDROXY-2,1-PYRROLIDINEDIYL)((1S)-1-ETHYL-2-OXO-2,1-ETHANEDIYL)))BIS(2-(METHYLAMINO)-, (2S,2'S)-

Systematic Name

English

birinapant [INN]

Common Name

English

TL32711

Code

English

TL-32711

Code

English

N,N'-((6,6'-DIFLUORO(1H,1'H-2,2'-BIINDOLE)- 3,3'-DIYL)BIS(METHYLENE((2R,4S)-4-HYDROXYPYRROLIDINE-2,1-DIYL)((2S)-1- OXOBUTANE-1,2-DIYL) BIS((2S)-2-(METHYLAMINO)PROPANAMIDE)

Common Name

English

Birinapant [WHO-DD]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C274