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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H39NO5.H2O4S
Molecular Weight 519.649
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ERYTHROPHLEINE SULFATE

SMILES

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

InChI

InChIKey=PBYWCCJEXBSZDD-XTNTYMOSSA-N
InChI=1S/C24H39NO5.H2O4S/c1-15-16(13-20(27)30-12-11-25-4)7-8-17-21(15)18(26)14-19-23(17,2)9-6-10-24(19,3)22(28)29-5;1-5(2,3)4/h13,15,17-19,21,25-26H,6-12,14H2,1-5H3;(H2,1,2,3,4)/b16-13+;/t15-,17-,18-,19+,21-,23+,24-;/m0./s1

HIDE SMILES / InChI

Molecular Formula C24H39NO5
Molecular Weight 421.5702
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
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 09:09:55 GMT 2023
Edited
by admin
on Sat Dec 16 09:09:55 GMT 2023
Record UNII
EH3K249388
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ERYTHROPHLEINE SULFATE
Common Name English
NORCASSAMIDINE SULFATE
Common Name English
1-PHENANTHRENECARBOXYLIC ACID, TETRADECAHYDRO-9-HYDROXY-1,4A,8-TRIMETHYL-7-(2-(2-(METHYLAMINO)ETHOXY)-2-OXOETHYLIDENE)-, METHYL ESTER, (1S-(1.ALPHA.,4A.ALPHA.,4B.BETA.,7E,8.BETA.,8A.ALPHA.,9.ALPHA.,10A.BETA.))-, SULFATE (1:1) (SALT)
Systematic Name English
Code System Code Type Description
CAS
1339-98-6
Created by admin on Sat Dec 16 09:09:55 GMT 2023 , Edited by admin on Sat Dec 16 09:09:55 GMT 2023
PRIMARY
FDA UNII
EH3K249388
Created by admin on Sat Dec 16 09:09:55 GMT 2023 , Edited by admin on Sat Dec 16 09:09:55 GMT 2023
PRIMARY
EPA CompTox
DTXSID30928329
Created by admin on Sat Dec 16 09:09:55 GMT 2023 , Edited by admin on Sat Dec 16 09:09:55 GMT 2023
PRIMARY
PUBCHEM
76970260
Created by admin on Sat Dec 16 09:09:55 GMT 2023 , Edited by admin on Sat Dec 16 09:09:55 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY