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Details

Stereochemistry ABSOLUTE
Molecular Formula C40H56N3O4S.Cl
Molecular Weight 710.408
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MARALIXIBAT CHLORIDE

SMILES

[Cl-].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=POMVPJBWDDJCMP-RUKDTIIFSA-M
InChI=1S/C40H56N3O4S.ClH/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;1H/q+1;/p-1/t38-,39-;/m1./s1

HIDE SMILES / InChI

Molecular Formula C40H56N3O4S
Molecular Weight 674.955
Charge 1
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula Cl
Molecular Weight 35.453
Charge -1
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 16:07:01 UTC 2023
Edited
by admin
on Fri Dec 15 16:07:01 UTC 2023
Record UNII
V78M04F0XC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MARALIXIBAT CHLORIDE
INN   USAN   WHO-DD  
USAN   INN  
Official 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)-, CHLORIDE (1:1)
Systematic Name English
LOPIXIBAT CHLORIDE
INN  
Official Name English
MARALIXIBAT CHLORIDE [USAN]
Common Name English
LIVMARLI
Brand Name English
LUM-001
Code English
MARALIXIBAT CHLORIDE [ORANGE BOOK]
Common Name English
LUM001
Code English
maralixibat chloride [INN]
Common Name English
Maralixibat chloride [WHO-DD]
Common Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 406213
Created by admin on Fri Dec 15 16:07:01 UTC 2023 , Edited by admin on Fri Dec 15 16:07:01 UTC 2023
EU-Orphan Drug EU/3/13/1217
Created by admin on Fri Dec 15 16:07:01 UTC 2023 , Edited by admin on Fri Dec 15 16:07:01 UTC 2023
FDA ORPHAN DRUG 406113
Created by admin on Fri Dec 15 16:07:01 UTC 2023 , Edited by admin on Fri Dec 15 16:07:01 UTC 2023
FDA ORPHAN DRUG 401513
Created by admin on Fri Dec 15 16:07:01 UTC 2023 , Edited by admin on Fri Dec 15 16:07:01 UTC 2023
Code System Code Type Description
SMS_ID
100000181872
Created by admin on Fri Dec 15 16:07:01 UTC 2023 , Edited by admin on Fri Dec 15 16:07:01 UTC 2023
PRIMARY
RXCUI
2571073
Created by admin on Fri Dec 15 16:07:01 UTC 2023 , Edited by admin on Fri Dec 15 16:07:01 UTC 2023
PRIMARY
EPA CompTox
DTXSID701337104
Created by admin on Fri Dec 15 16:07:01 UTC 2023 , Edited by admin on Fri Dec 15 16:07:01 UTC 2023
PRIMARY
ChEMBL
CHEMBL363392
Created by admin on Fri Dec 15 16:07:01 UTC 2023 , Edited by admin on Fri Dec 15 16:07:01 UTC 2023
PRIMARY
EVMPD
SUB195693
Created by admin on Fri Dec 15 16:07:01 UTC 2023 , Edited by admin on Fri Dec 15 16:07:01 UTC 2023
PRIMARY
FDA UNII
V78M04F0XC
Created by admin on Fri Dec 15 16:07:01 UTC 2023 , Edited by admin on Fri Dec 15 16:07:01 UTC 2023
PRIMARY
USAN
CD-113
Created by admin on Fri Dec 15 16:07:01 UTC 2023 , Edited by admin on Fri Dec 15 16:07:01 UTC 2023
PRIMARY
CAS
228113-66-4
Created by admin on Fri Dec 15 16:07:01 UTC 2023 , Edited by admin on Fri Dec 15 16:07:01 UTC 2023
PRIMARY
PUBCHEM
9831642
Created by admin on Fri Dec 15 16:07:01 UTC 2023 , Edited by admin on Fri Dec 15 16:07:01 UTC 2023
PRIMARY
INN
10073
Created by admin on Fri Dec 15 16:07:01 UTC 2023 , Edited by admin on Fri Dec 15 16:07:01 UTC 2023
PRIMARY
NCI_THESAURUS
C170149
Created by admin on Fri Dec 15 16:07:01 UTC 2023 , Edited by admin on Fri Dec 15 16:07:01 UTC 2023
PRIMARY
DAILYMED
V78M04F0XC
Created by admin on Fri Dec 15 16:07:01 UTC 2023 , Edited by admin on Fri Dec 15 16:07:01 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY