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

Details

Stereochemistry ABSOLUTE
Molecular Formula 2C39H61NO14.H2O4S
Molecular Weight 1633.878
Optical Activity UNSPECIFIED
Defined Stereocenters 28 / 28
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RIMOCIDIN SULFATE

SMILES

OS(O)(=O)=O.[H][C@]12C[C@@H](O[C@]3([H])O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O)\C=C\C=C\C=C\C=C\C[C@@H](CCC)OC(=O)[C@@H](CC)[C@H](O)CC(=O)CCC[C@H](O)C[C@](O)(C[C@H](O)[C@H]1C(O)=O)O2.[H][C@]45C[C@@H](O[C@]6([H])O[C@H](C)[C@@H](O)[C@H](N)[C@@H]6O)\C=C\C=C\C=C\C=C\C[C@@H](CCC)OC(=O)[C@@H](CC)[C@H](O)CC(=O)CCC[C@H](O)C[C@](O)(C[C@H](O)[C@H]4C(O)=O)O5

InChI

InChIKey=JXBSFGYXVRJLFD-DNUUDXMTSA-N
InChI=1S/2C39H61NO14.H2O4S/c2*1-4-14-26-17-11-9-7-6-8-10-12-18-27(53-38-35(46)33(40)34(45)23(3)51-38)20-31-32(36(47)48)30(44)22-39(50,54-31)21-25(42)16-13-15-24(41)19-29(43)28(5-2)37(49)52-26;1-5(2,3)4/h2*6-12,18,23,25-35,38,42-46,50H,4-5,13-17,19-22,40H2,1-3H3,(H,47,48);(H2,1,2,3,4)/b2*7-6+,10-8+,11-9+,18-12+;/t2*23-,25+,26-,27+,28+,29-,30+,31+,32-,33+,34-,35+,38+,39-;/m11./s1

HIDE SMILES / InChI

Molecular Formula H2O4S
Molecular Weight 98.078
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C39H61NO14
Molecular Weight 767.8999
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 14 / 14
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:12:59 GMT 2023
Edited
by admin
on Sat Dec 16 09:12:59 GMT 2023
Record UNII
WD2Z4QD59V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RIMOCIDIN SULFATE
Common Name English
RIMOCIDIN SULFATE ANHYDROUS
Common Name English
RIMOCIDIN, SULFATE (2:1)
Common Name English
RIMOCIDIN SULFATE ANHYDROUS [MI]
Common Name English
Code System Code Type Description
FDA UNII
WD2Z4QD59V
Created by admin on Sat Dec 16 09:12:59 GMT 2023 , Edited by admin on Sat Dec 16 09:12:59 GMT 2023
PRIMARY
EPA CompTox
DTXSID501035681
Created by admin on Sat Dec 16 09:12:59 GMT 2023 , Edited by admin on Sat Dec 16 09:12:59 GMT 2023
PRIMARY
PUBCHEM
133082881
Created by admin on Sat Dec 16 09:12:59 GMT 2023 , Edited by admin on Sat Dec 16 09:12:59 GMT 2023
PRIMARY
MERCK INDEX
m9624
Created by admin on Sat Dec 16 09:12:59 GMT 2023 , Edited by admin on Sat Dec 16 09:12:59 GMT 2023
PRIMARY
CAS
63182-90-1
Created by admin on Sat Dec 16 09:12:59 GMT 2023 , Edited by admin on Sat Dec 16 09:12:59 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
SOLVATE->ANHYDROUS