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

Details

Stereochemistry ABSOLUTE
Molecular Formula C28H44O3
Molecular Weight 428.6472
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 3
Charge 0

SHOW SMILES / InChI
Structure of 1.ALPHA.,24S-DIHYDROXYVITAMIN D2

SMILES

[H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C3\C[C@@H](O)C[C@H](O)C3=C)[C@H](C)\C=C\[C@@](C)(O)C(C)C

InChI

InChIKey=ODZFJAXAEXQSKL-WRJREGAQSA-N
InChI=1S/C28H44O3/c1-18(2)28(6,31)15-13-19(3)24-11-12-25-21(8-7-14-27(24,25)5)9-10-22-16-23(29)17-26(30)20(22)4/h9-10,13,15,18-19,23-26,29-31H,4,7-8,11-12,14,16-17H2,1-3,5-6H3/b15-13+,21-9+,22-10-/t19-,23-,24-,25+,26+,27-,28-/m1/s1

HIDE SMILES / InChI

Molecular Formula C28H44O3
Molecular Weight 428.6472
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 3
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:56:39 UTC 2023
Edited
by admin
on Fri Dec 15 15:56:39 UTC 2023
Record UNII
2900I92Z36
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1.ALPHA.,24S-DIHYDROXYVITAMIN D2
Common Name English
1.ALPHA.,24(S)-DIHYDROXYERGOCALCIFEROL
Common Name English
LR-103
Code English
(1.ALPHA.,3.BETA.,5Z,7E,22E,24S)-9,10-SECOERGOSTA-5,7,10(19),22-TETRAENE-1,3,24-TRIOL
Common Name English
9,10-SECOERGOSTA-5,7,10(19),22-TETRAENE-1,3,24-TRIOL,(1.ALPHA.,3.BETA.,5Z,7E,22E)-
Common Name English
LR 103 [WHO-DD]
Common Name English
Code System Code Type Description
FDA UNII
2900I92Z36
Created by admin on Fri Dec 15 15:56:39 UTC 2023 , Edited by admin on Fri Dec 15 15:56:39 UTC 2023
PRIMARY
CAS
156316-85-7
Created by admin on Fri Dec 15 15:56:39 UTC 2023 , Edited by admin on Fri Dec 15 15:56:39 UTC 2023
PRIMARY
EPA CompTox
DTXSID801015488
Created by admin on Fri Dec 15 15:56:39 UTC 2023 , Edited by admin on Fri Dec 15 15:56:39 UTC 2023
PRIMARY
PUBCHEM
9547261
Created by admin on Fri Dec 15 15:56:39 UTC 2023 , Edited by admin on Fri Dec 15 15:56:39 UTC 2023
PRIMARY
RXCUI
1536458
Created by admin on Fri Dec 15 15:56:39 UTC 2023 , Edited by admin on Fri Dec 15 15:56:39 UTC 2023
PRIMARY RxNorm
DAILYMED
2900I92Z36
Created by admin on Fri Dec 15 15:56:39 UTC 2023 , Edited by admin on Fri Dec 15 15:56:39 UTC 2023
PRIMARY
Related Record Type Details
PRODRUG -> METABOLITE ACTIVE
doxercalciferol is activated by CYP 27 in the liver to form 1.alpha.,25-(OH)2D2 (major metabolite) and 1.alpha.,24-dihydroxyvitamin D2 (minor metabolite).
MINOR
Related Record Type Details
ACTIVE MOIETY