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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H39NO5.H2O4S
Molecular Weight 531.659
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of CASSAMINE SULFATE

SMILES

OS(O)(=O)=O.[H][C@]12CC\C([C@H](C)[C@]1([H])C(=O)C[C@@]3([H])[C@](C)(CCC[C@]23C)C(=O)OC)=C/C(=O)OCCN(C)C

InChI

InChIKey=ZEQDCWMVIXLRSX-PKBCFCONSA-N
InChI=1S/C25H39NO5.H2O4S/c1-16-17(14-21(28)31-13-12-26(4)5)8-9-18-22(16)19(27)15-20-24(18,2)10-7-11-25(20,3)23(29)30-6;1-5(2,3)4/h14,16,18,20,22H,7-13,15H2,1-6H3;(H2,1,2,3,4)/b17-14+;/t16-,18-,20+,22-,24+,25-;/m0./s1

HIDE SMILES / InChI

Molecular Formula C25H39NO5
Molecular Weight 433.5809
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 1
Optical Activity UNSPECIFIED

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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:59:44 GMT 2023
Edited
by admin
on Sat Dec 16 10:59:44 GMT 2023
Record UNII
1X6T49FA32
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CASSAMINE SULFATE
MI  
Common Name English
PODOCARPAN-16-OIC ACID, 13-(CARBOXYMETHYLENE)-14-METHYL-7-OXO-, 13-(2-(DIMETHYLAMINO)ETHYL) METHYL ESTER, SULFATE (1:1)
Systematic Name English
CASSAMINE SULFATE [MI]
Common Name English
Code System Code Type Description
CAS
25443-02-1
Created by admin on Sat Dec 16 10:59:44 GMT 2023 , Edited by admin on Sat Dec 16 10:59:44 GMT 2023
PRIMARY
FDA UNII
1X6T49FA32
Created by admin on Sat Dec 16 10:59:44 GMT 2023 , Edited by admin on Sat Dec 16 10:59:44 GMT 2023
PRIMARY
PUBCHEM
90479193
Created by admin on Sat Dec 16 10:59:44 GMT 2023 , Edited by admin on Sat Dec 16 10:59:44 GMT 2023
PRIMARY
MERCK INDEX
m106
Created by admin on Sat Dec 16 10:59:44 GMT 2023 , Edited by admin on Sat Dec 16 10:59:44 GMT 2023
PRIMARY Merck Index