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Details

Stereochemistry RACEMIC
Molecular Formula C7H14O4
Molecular Weight 162.1837
Optical Activity ( + / - )
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CYMAROSE

SMILES

CO[C@@H](CC=O)[C@H](O)[C@@H](C)O

InChI

InChIKey=GOYBREOSJSERKM-DSYKOEDSSA-N
InChI=1S/C7H14O4/c1-5(9)7(10)6(11-2)3-4-8/h4-7,9-10H,3H2,1-2H3/t5-,6+,7-/m1/s1

HIDE SMILES / InChI

Molecular Formula C7H14O4
Molecular Weight 162.1837
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 21:25:45 GMT 2025
Edited
by admin
on Mon Mar 31 21:25:45 GMT 2025
Record UNII
T65F4U7ZF2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CYMAROSE
MI  
Common Name English
3-METHYLDIGITOXOSE
Preferred Name English
2,6-DIDEOXY-3-O-METHYL-RIBO-HEXOSE
Common Name English
RIBO-HEXOSE, 2,6-DIDEOXY-3-O-METHYL-
Systematic Name English
CYMAROSE [MI]
Common Name English
CYMAROSE, DL-
Common Name English
CYMAROSE, (±)-
Common Name English
Code System Code Type Description
CAS
579-04-4
Created by admin on Mon Mar 31 21:25:45 GMT 2025 , Edited by admin on Mon Mar 31 21:25:45 GMT 2025
PRIMARY
FDA UNII
T65F4U7ZF2
Created by admin on Mon Mar 31 21:25:45 GMT 2025 , Edited by admin on Mon Mar 31 21:25:45 GMT 2025
PRIMARY
CHEBI
10366
Created by admin on Mon Mar 31 21:25:45 GMT 2025 , Edited by admin on Mon Mar 31 21:25:45 GMT 2025
PRIMARY
MERCK INDEX
m4029
Created by admin on Mon Mar 31 21:25:45 GMT 2025 , Edited by admin on Mon Mar 31 21:25:45 GMT 2025
PRIMARY Merck Index
EPA CompTox
DTXSID30973490
Created by admin on Mon Mar 31 21:25:45 GMT 2025 , Edited by admin on Mon Mar 31 21:25:45 GMT 2025
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE