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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H58NO6P
Molecular Weight 523.7263
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of EDELFOSINE, (S)-

SMILES

CCCCCCCCCCCCCCCCCCOC[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)OC

InChI

InChIKey=MHFRGQHAERHWKZ-MHZLTWQESA-N
InChI=1S/C27H58NO6P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-32-25-27(31-5)26-34-35(29,30)33-24-22-28(2,3)4/h27H,6-26H2,1-5H3/t27-/m0/s1

HIDE SMILES / InChI

Molecular Formula C27H58NO6P
Molecular Weight 523.7263
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:12:50 GMT 2023
Edited
by admin
on Sat Dec 16 11:12:50 GMT 2023
Record UNII
5Y26PRL7ZI
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
EDELFOSINE, (S)-
Common Name English
3,5,9-TRIOXA-4-PHOSPHAHEPTACOSAN-1-AMINIUM, 4-HYDROXY-7-METHOXY-N,N,N-TRIMETHYL-, INNER SALT, 4-OXIDE, (S)-
Common Name English
3,5,9-TRIOXA-4-PHOSPHAHEPTACOSAN-1-AMINIUM, 4-HYDROXY-7-METHOXY-N,N,N-TRIMETHYL-, INNER SALT, 4-OXIDE, (7S)-
Systematic Name English
Code System Code Type Description
CAS
83542-43-2
Created by admin on Sat Dec 16 11:12:51 GMT 2023 , Edited by admin on Sat Dec 16 11:12:51 GMT 2023
PRIMARY
FDA UNII
5Y26PRL7ZI
Created by admin on Sat Dec 16 11:12:51 GMT 2023 , Edited by admin on Sat Dec 16 11:12:51 GMT 2023
PRIMARY
PUBCHEM
6603836
Created by admin on Sat Dec 16 11:12:51 GMT 2023 , Edited by admin on Sat Dec 16 11:12:51 GMT 2023
PRIMARY
Related Record Type Details
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