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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H30O3
Molecular Weight 306.4397
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HE-2200

SMILES

[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]3([H])[C@@]2([H])[C@@H](O)C=C4C[C@@H](O)CC[C@]34C

InChI

InChIKey=OEVZKEVBDIDVOI-YSZCXEEOSA-N
InChI=1S/C19H30O3/c1-18-7-5-12(20)9-11(18)10-15(21)17-13-3-4-16(22)19(13,2)8-6-14(17)18/h10,12-17,20-22H,3-9H2,1-2H3/t12-,13-,14-,15-,16-,17-,18-,19-/m0/s1

HIDE SMILES / InChI

Molecular Formula C19H30O3
Molecular Weight 306.4397
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:29:15 UTC 2023
Edited
by admin
on Fri Dec 15 16:29:15 UTC 2023
Record UNII
Q0CZ537GC8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HE-2200
Code English
ANDROST-5-ENE-3,7,17-TRIOL, (3.BETA.,7.BETA.,17.BETA.)-
Systematic Name English
BETA-AET
Common Name English
(3S,7R,8R,9S,10R,13S,14S,17S)-10,13-DIMETHYL-2,3,4,7,8,9,11,12,14,15,16,17-DODECAHYDRO-1H-CYCLOPENTA(A)PHENANTHRENE-3,7,17-TRIOL
Systematic Name English
REVERSIONEX
Brand Name English
3.BETA.,7.BETA.,17.BETA.-TRIHYDROXYANDROST-5-ENE
Systematic Name English
Code System Code Type Description
CAS
2697-85-0
Created by admin on Fri Dec 15 16:29:15 UTC 2023 , Edited by admin on Fri Dec 15 16:29:15 UTC 2023
PRIMARY
EPA CompTox
DTXSID201043225
Created by admin on Fri Dec 15 16:29:15 UTC 2023 , Edited by admin on Fri Dec 15 16:29:15 UTC 2023
PRIMARY
FDA UNII
Q0CZ537GC8
Created by admin on Fri Dec 15 16:29:15 UTC 2023 , Edited by admin on Fri Dec 15 16:29:15 UTC 2023
PRIMARY
DRUG BANK
DB06257
Created by admin on Fri Dec 15 16:29:15 UTC 2023 , Edited by admin on Fri Dec 15 16:29:15 UTC 2023
PRIMARY
PUBCHEM
9818024
Created by admin on Fri Dec 15 16:29:15 UTC 2023 , Edited by admin on Fri Dec 15 16:29:15 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
IN VITRO
Related Record Type Details
ACTIVE MOIETY
Status: 606 - Abandoned - No Statement Of Use Filed
ACTIVE MOIETY
HE-2200 has been in phase II clinical trials for the treatment of inflammatory bowel diseases and multiple sclerosis. However, this research has been discontinued. The compound was originally developed by Virginia Commonwealth University (VCU), and licensed to Harbor BioSciences (formerly Hollis-Eden Pharmaceuticals).