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Details

Stereochemistry ABSOLUTE
Molecular Formula C30H39N3O6S
Molecular Weight 569.712
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of EC-586

SMILES

[H][C@@]12CC[C@H](OC(=O)[C@@H]3CCCN3C(=O)C4=CC=C(C=N4)S(N)(=O)=O)[C@@]1(C)CC[C@@]5([H])[C@@]2([H])CCC6=CC(=O)CC[C@]56C

InChI

InChIKey=CYIIXLHIAANHDT-SFEKBMPBSA-N
InChI=1S/C30H39N3O6S/c1-29-13-11-19(34)16-18(29)5-7-21-22-8-10-26(30(22,2)14-12-23(21)29)39-28(36)25-4-3-15-33(25)27(35)24-9-6-20(17-32-24)40(31,37)38/h6,9,16-17,21-23,25-26H,3-5,7-8,10-15H2,1-2H3,(H2,31,37,38)/t21-,22-,23-,25-,26-,29-,30-/m0/s1

HIDE SMILES / InChI

Molecular Formula C30H39N3O6S
Molecular Weight 569.712
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 17:30:06 UTC 2023
Edited
by admin
on Sat Dec 16 17:30:06 UTC 2023
Record UNII
C86SA44JFY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
EC-586
Common Name English
L-PROLINE, 1-((5-(AMINOSULFONYL)-2-PYRIDINYL)CARBONYL)-, (17.BETA.)-3-OXOANDROST-4-EN-17-YL ESTER
Systematic Name English
EC586
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID501336374
Created by admin on Sat Dec 16 17:30:06 UTC 2023 , Edited by admin on Sat Dec 16 17:30:06 UTC 2023
PRIMARY
PUBCHEM
137645868
Created by admin on Sat Dec 16 17:30:06 UTC 2023 , Edited by admin on Sat Dec 16 17:30:06 UTC 2023
PRIMARY
FDA UNII
C86SA44JFY
Created by admin on Sat Dec 16 17:30:06 UTC 2023 , Edited by admin on Sat Dec 16 17:30:06 UTC 2023
PRIMARY
WIKIPEDIA
EC586
Created by admin on Sat Dec 16 17:30:06 UTC 2023 , Edited by admin on Sat Dec 16 17:30:06 UTC 2023
PRIMARY
CAS
2140269-95-8
Created by admin on Sat Dec 16 17:30:06 UTC 2023 , Edited by admin on Sat Dec 16 17:30:06 UTC 2023
PRIMARY
Related Record Type Details
METABOLITE ACTIVE -> PRODRUG