U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C27H45O5S.Na
Molecular Weight 504.698
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LARSUCOSTEROL SODIUM

SMILES

[Na+].[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OS([O-])(=O)=O)[C@H](C)CCCC(C)(C)O

InChI

InChIKey=OEGAOHNRCSZIRO-KSGNISEOSA-M
InChI=1S/C27H46O5S.Na/c1-18(7-6-14-25(2,3)28)22-10-11-23-21-9-8-19-17-20(32-33(29,30)31)12-15-26(19,4)24(21)13-16-27(22,23)5;/h8,18,20-24,28H,6-7,9-17H2,1-5H3,(H,29,30,31);/q;+1/p-1/t18-,20+,21+,22-,23+,24+,26+,27-;/m1./s1

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C27H45O5S
Molecular Weight 481.708
Charge -1
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 Sat Dec 16 13:28:37 GMT 2023
Edited
by admin
on Sat Dec 16 13:28:37 GMT 2023
Record UNII
71A5JOPBE8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LARSUCOSTEROL SODIUM
USAN  
Official Name English
DUR-928 SODIUM
Code English
LARSUCOSTEROL SODIUM [USAN]
Common Name English
5-CHOLESTEN-3.BETA., 25-DIOL 3-SULFATE SODIUM
Common Name English
SODIUM LARSUCOSTEROL
Common Name English
5-CHOLESTEN-3.BETA., 25-DIOL 3-SULFATE SODIUM SALT
Common Name English
5-CHOLESTEN-3.BETA.-25-DIOL-3-SULFATE SODIUM SALT
Common Name English
DV-928 SODIUM
Code English
Classification Tree Code System Code
FDA ORPHAN DRUG 586317
Created by admin on Sat Dec 16 13:28:37 GMT 2023 , Edited by admin on Sat Dec 16 13:28:37 GMT 2023
Code System Code Type Description
USAN
JK-16
Created by admin on Sat Dec 16 13:28:37 GMT 2023 , Edited by admin on Sat Dec 16 13:28:37 GMT 2023
PRIMARY
CAS
1174047-40-5
Created by admin on Sat Dec 16 13:28:37 GMT 2023 , Edited by admin on Sat Dec 16 13:28:37 GMT 2023
PRIMARY
FDA UNII
71A5JOPBE8
Created by admin on Sat Dec 16 13:28:37 GMT 2023 , Edited by admin on Sat Dec 16 13:28:37 GMT 2023
PRIMARY
PUBCHEM
25208970
Created by admin on Sat Dec 16 13:28:37 GMT 2023 , Edited by admin on Sat Dec 16 13:28:37 GMT 2023
PRIMARY
SMS_ID
300000031616
Created by admin on Sat Dec 16 13:28:37 GMT 2023 , Edited by admin on Sat Dec 16 13:28:37 GMT 2023
PRIMARY
NCI_THESAURUS
C184929
Created by admin on Sat Dec 16 13:28:37 GMT 2023 , Edited by admin on Sat Dec 16 13:28:37 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY