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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H33O7S.Na
Molecular Weight 488.569
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BUFALIN SODIUM SULFATE

SMILES

[Na+].[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@H](CC[C@]34O)C5=COC(=O)C=C5)[C@@]1(C)CC[C@@H](C2)OS([O-])(=O)=O

InChI

InChIKey=MNCMYZPIPICJMB-WWLQEYQOSA-M
InChI=1S/C24H34O7S.Na/c1-22-10-7-17(31-32(27,28)29)13-16(22)4-5-20-19(22)8-11-23(2)18(9-12-24(20,23)26)15-3-6-21(25)30-14-15;/h3,6,14,16-20,26H,4-5,7-13H2,1-2H3,(H,27,28,29);/q;+1/p-1/t16-,17+,18-,19+,20-,22+,23-,24+;/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 C24H33O7S
Molecular Weight 465.58
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 08:10:42 GMT 2023
Edited
by admin
on Sat Dec 16 08:10:42 GMT 2023
Record UNII
YNL423LRJA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BUFALIN SODIUM SULFATE
MI  
Common Name English
BUFALIN SODIUM SULFATE [MI]
Common Name English
SODIUM BUFALIN-3-SULFATE
Common Name English
BUFA-20,22-DIENOLIDE, 14-HYDROXY-3-(SULFOOXY)-, MONOSODIUM SALT, (3.BETA.,5.BETA.)-
Systematic Name English
Code System Code Type Description
MERCK INDEX
m2748
Created by admin on Sat Dec 16 08:10:42 GMT 2023 , Edited by admin on Sat Dec 16 08:10:42 GMT 2023
PRIMARY Merck Index
CAS
63221-24-9
Created by admin on Sat Dec 16 08:10:42 GMT 2023 , Edited by admin on Sat Dec 16 08:10:42 GMT 2023
PRIMARY
PUBCHEM
86278241
Created by admin on Sat Dec 16 08:10:42 GMT 2023 , Edited by admin on Sat Dec 16 08:10:42 GMT 2023
PRIMARY
FDA UNII
YNL423LRJA
Created by admin on Sat Dec 16 08:10:42 GMT 2023 , Edited by admin on Sat Dec 16 08:10:42 GMT 2023
PRIMARY