MARALIXIBAT

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C40H56N3O4S
Molecular Weight	674.955
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	1

SHOW SMILES / InChI

Structure of MARALIXIBAT

Structure Search

SMILES

CCCCC1(CCCC)CS(=O)(=O)C2=CC=C(C=C2[C@H]([C@H]1O)C3=CC=C(OCC4=CC=C(C[N+]56CCN(CC5)CC6)C=C4)C=C3)N(C)C

InChI

InChIKey=STPKWKPURVSAJF-LJEWAXOPSA-N

InChI=1S/C40H56N3O4S/c1-5-7-19-40(20-8-6-2)30-48(45,46)37-18-15-34(41(3)4)27-36(37)38(39(40)44)33-13-16-35(17-14-33)47-29-32-11-9-31(10-12-32)28-43-24-21-42(22-25-43)23-26-43/h9-18,27,38-39,44H,5-8,19-26,28-30H2,1-4H3/q+1/t38-,39-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C40H55N3O4S
Molecular Weight	673.947
Charge	0
Count

Stereochemistry	EPIMERIC
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 08:35:56 UTC 2023` Edited by `admin` on `Sat Dec 16 08:35:56 UTC 2023`
Record UNII	UYB6UOF69L
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

MARALIXIBAT

Official Name

English

LUM-001 CATION

Code

English

Maralixibat [WHO-DD]

Common Name

English

LOPIXIBAT

Common Name

English

LUM001 CATION

Code

English

MARALIXIBAT [USAN]

Common Name

English

MARALIXIBAT CATION

Common Name

English

4-AZA-1-AZONIABICYCLO(2.2.2)OCTANE, 1-((4-((4-((4R,5R)-3,3-DIBUTYL-7-(DIMETHYLAMINO)-2,3,4,5-TETRAHYDRO-4-HYDROXY-1,1-DIOXIDO-1-BENZOTHIEPIN-5-YL)PHENOXY)METHYL)PHENYL)METHYL)-

Systematic Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

406013

Created by admin on Sat Dec 16 08:35:56 UTC 2023 , Edited by admin on Sat Dec 16 08:35:56 UTC 2023

FDA ORPHAN DRUG

705519

Created by admin on Sat Dec 16 08:35:56 UTC 2023 , Edited by admin on Sat Dec 16 08:35:56 UTC 2023

Code System Code Type Description

EVMPD

SUB195692

Created by admin on Sat Dec 16 08:35:56 UTC 2023 , Edited by admin on Sat Dec 16 08:35:56 UTC 2023

PRIMARY

EPA CompTox

DTXSID001337103

Created by admin on Sat Dec 16 08:35:56 UTC 2023 , Edited by admin on Sat Dec 16 08:35:56 UTC 2023

PRIMARY

NCI_THESAURUS

C170148

Created by admin on Sat Dec 16 08:35:56 UTC 2023 , Edited by admin on Sat Dec 16 08:35:56 UTC 2023

PRIMARY

FDA UNII

UYB6UOF69L

Created by admin on Sat Dec 16 08:35:56 UTC 2023 , Edited by admin on Sat Dec 16 08:35:56 UTC 2023

PRIMARY

DAILYMED

UYB6UOF69L

Created by admin on Sat Dec 16 08:35:56 UTC 2023 , Edited by admin on Sat Dec 16 08:35:56 UTC 2023

PRIMARY

PUBCHEM

9831643

Created by admin on Sat Dec 16 08:35:56 UTC 2023 , Edited by admin on Sat Dec 16 08:35:56 UTC 2023

PRIMARY

SMS_ID

100000181871

Created by admin on Sat Dec 16 08:35:56 UTC 2023 , Edited by admin on Sat Dec 16 08:35:56 UTC 2023

PRIMARY

RXCUI

2571074

Created by admin on Sat Dec 16 08:35:56 UTC 2023 , Edited by admin on Sat Dec 16 08:35:56 UTC 2023

PRIMARY

USAN

CD-112

Created by admin on Sat Dec 16 08:35:56 UTC 2023 , Edited by admin on Sat Dec 16 08:35:56 UTC 2023

PRIMARY

CAS

716313-53-0

Created by admin on Sat Dec 16 08:35:56 UTC 2023 , Edited by admin on Sat Dec 16 08:35:56 UTC 2023

PRIMARY

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