EPELSIBAN BESYLATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H38N4O4.C6H6O3S
Molecular Weight	676.822
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OS(=O)(=O)C1=CC=CC=C1.[H][C@]2([C@@H](C)CC)N([C@@H](C(=O)N3CCOCC3)C4=CC=C(C)N=C4C)C(=O)[C@H](NC2=O)C5CC6=C(C5)C=CC=C6

InChI

InChIKey=BEWUOCYETMDWGE-FKDQZALLSA-N

InChI=1S/C30H38N4O4.C6H6O3S/c1-5-18(2)26-28(35)32-25(23-16-21-8-6-7-9-22(21)17-23)29(36)34(26)27(24-11-10-19(3)31-20(24)4)30(37)33-12-14-38-15-13-33;7-10(8,9)6-4-2-1-3-5-6/h6-11,18,23,25-27H,5,12-17H2,1-4H3,(H,32,35);1-5H,(H,7,8,9)/t18-,25+,26+,27+;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C30H38N4O4
Molecular Weight	518.6471
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	C6H6O3S
Molecular Weight	158.175
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 21:13:38 UTC 2023` Edited by `admin` on `Fri Dec 15 21:13:38 UTC 2023`
Record UNII	H629P9T4UN
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

EPELSIBAN BESYLATE

Official Name

English

2,5-PIPERAZINEDIONE, 3-(2,3-DIHYDRO-1H-INDEN-2-YL)-1-((1R)-1-(2,6-DIMETHYL-3-PYRIDINYL)- 2-(4-MORPHOLINYL)-2-OXOETHYL)-6-((1S)-1-METHYLPROPYL)-, (3R,6R)-, BENZENESULFONATE (1:1)

Common Name

English

EPELSIBAN BESYLATE [USAN]

Common Name

English

GSK557296B

Code

English

(3R,6R)-3-(2,3-DIHYDRO-1H-INDEN-2-YL)-1-((1R)-1-(2,6-DIMETHYLPYRIDIN-3-YL)-2-(MORPHOLIN-4-YL)-2-OXOETHYL)-6-((1S)-1-METHYLPROPYL)PIPERAZINE-2,5-DIONE MONOBENZENESULFONATE

Common Name

English

GSK-557296B

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C98292