BARIXIBAT

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C42H55N5O8
Molecular Weight	757.9148
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)NCCCCCCCCCCC(=O)NC1=C(C=CC=C1)[C@@H](NC2=NC=CC=C2)[C@@H]([C@H](O)C3=CC=CC=C3)C4=NC=CC=C4

InChI

InChIKey=LNLNLJFTSXTELN-TVKRVUGASA-N

InChI=1S/C42H55N5O8/c48-28-33(49)39(52)40(53)41(54)42(55)45-27-15-6-4-2-1-3-5-10-24-35(50)46-31-21-12-11-20-30(31)37(47-34-23-14-17-26-44-34)36(32-22-13-16-25-43-32)38(51)29-18-8-7-9-19-29/h7-9,11-14,16-23,25-26,33,36-41,48-49,51-54H,1-6,10,15,24,27-28H2,(H,44,47)(H,45,55)(H,46,50)/t33-,36+,37-,38-,39-,40+,41-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C42H55N5O8
Molecular Weight	757.9148
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:01:26 GMT 2023` Edited by `admin` on `Sat Dec 16 16:01:26 GMT 2023`
Record UNII	T7GPA66TO8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BARIXIBAT

Official Name

English

D-GLUCONAMIDE, N-(11-((2-((1S,2R,3S)-3-HYDROXY-3-PHENYL-2-(2-PYRIDINYL)-1-(2-PYRIDINYLAMINO)PROPYL)PHENYL)AMINO)-11-OXOUNDECYL)-

Common Name

English

barixibat [INN]

Common Name

English

Code System Code Type Description

NCI_THESAURUS

C169803