U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H34O2
Molecular Weight 318.4935
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIMETHYLANDROSTANOLONE

SMILES

[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]3([H])[C@@]2([H])CC[C@@]4([H])CC(=O)C[C@H](C)[C@]34C

InChI

InChIKey=XGTSZQUZTZMJGX-DQVGDZKQSA-N
InChI=1S/C21H34O2/c1-13-11-15(22)12-14-5-6-16-17-8-10-20(3,23)19(17,2)9-7-18(16)21(13,14)4/h13-14,16-18,23H,5-12H2,1-4H3/t13-,14-,16-,17-,18-,19-,20-,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H34O2
Molecular Weight 318.4935
Charge 0
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 08:10:37 GMT 2023
Edited
by admin
on Sat Dec 16 08:10:37 GMT 2023
Record UNII
9608F395XG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIMETHYLANDROSTANOLONE
Common Name English
DIMETHANDROSTANOLONE
Common Name English
ANDROSTAN-3-ONE, 17-HYDROXY-1,17-DIMETHYL-, (1.ALPHA.,5.ALPHA.,17.BETA.)-
Systematic Name English
(1S,5S,8R,9S,10S,13S,14S,17S)-17-HYDROXY-1,10,13,17-TETRAMETHYL-2,4,5,6,7,8,9,11,12,14,15,16-DODECAHYDRO-1H-CYCLOPENTA(A)PHENANTHREN-3-ONE
Systematic Name English
DEMALON
Brand Name English
1.ALPHA.,17.ALPHA.-DIMETHYL-5-ANDROSTAN-17-OL-3-ONE
Systematic Name English
(1.ALPHA.,5.ALPHA.,17.BETA.)-17-HYDROXY-1,17-DIMETHYLANDROSTAN-3-ONE
Systematic Name English
5-ANDROSTAN-17-OL-3-ONE, 1.ALPHA.,17.ALPHA.-DIMETHYL-
Systematic Name English
5.ALPHA.-ANDROSTAN-3-ONE, 17.BETA.-HYDROXY-1.ALPHA.,17-DIMETHYL-
Systematic Name English
J7.926J
Code English
17.BETA.-HYDROXY-1.ALPHA.,17-DIMETHYL-5.ALPHA.-ANDROSTAN-3-ONE
Systematic Name English
Code System Code Type Description
CAS
2881-21-2
Created by admin on Sat Dec 16 08:10:37 GMT 2023 , Edited by admin on Sat Dec 16 08:10:37 GMT 2023
PRIMARY
PUBCHEM
102347
Created by admin on Sat Dec 16 08:10:37 GMT 2023 , Edited by admin on Sat Dec 16 08:10:37 GMT 2023
PRIMARY
EPA CompTox
DTXSID90951451
Created by admin on Sat Dec 16 08:10:37 GMT 2023 , Edited by admin on Sat Dec 16 08:10:37 GMT 2023
PRIMARY
FDA UNII
9608F395XG
Created by admin on Sat Dec 16 08:10:37 GMT 2023 , Edited by admin on Sat Dec 16 08:10:37 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY