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

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H30O2
Molecular Weight 302.451
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3.ALPHA.,5.ALPHA.-TETRAHYDRONORETHISTERONE

SMILES

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

InChI

InChIKey=DPDZKJQFRFZZCW-GAXNORQESA-N
InChI=1S/C20H30O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,13-18,21-22H,4-12H2,2H3/t13-,14+,15-,16+,17+,18-,19-,20-/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H30O2
Molecular Weight 302.451
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 08:50:26 GMT 2023
Edited
by admin
on Sat Dec 16 08:50:26 GMT 2023
Record UNII
7YHT3131XK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3.ALPHA.,5.ALPHA.-TETRAHYDRONORETHISTERONE
Common Name English
17.ALPHA.-ETHYNYL-5.ALPHA.-OESTRANE-3.ALPHA.,17.BETA.-DIOL
Common Name English
17.ALPHA.-ETHYNYL-5.ALPHA.-ESTRANE-3.ALPHA.,17.BETA.-DIOL
Common Name English
3.ALPHA.,5.ALPHA.-TETRAHYDRONORETHINDRONE
Common Name English
19-NOR-5.ALPHA.,17.ALPHA.-PREGN-20-YNE-3.ALPHA.,17-DIOL
Common Name English
19-NORPREGN-20-YNE-3,17-DIOL, (3.ALPHA.,5.ALPHA.,17.BETA.)-
Common Name English
Code System Code Type Description
PUBCHEM
14260695
Created by admin on Sat Dec 16 08:50:27 GMT 2023 , Edited by admin on Sat Dec 16 08:50:27 GMT 2023
PRIMARY
EPA CompTox
DTXSID30558120
Created by admin on Sat Dec 16 08:50:27 GMT 2023 , Edited by admin on Sat Dec 16 08:50:27 GMT 2023
PRIMARY
FDA UNII
7YHT3131XK
Created by admin on Sat Dec 16 08:50:27 GMT 2023 , Edited by admin on Sat Dec 16 08:50:27 GMT 2023
PRIMARY
CAS
16392-60-2
Created by admin on Sat Dec 16 08:50:27 GMT 2023 , Edited by admin on Sat Dec 16 08:50:27 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE LESS ACTIVE
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IN-VIVO
PLASMA