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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H46O3
Molecular Weight 430.663
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of 24-HOMO-1,25-DIHYDROXYVITAMIN D3

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)CCCCC(C)(C)O

InChI

InChIKey=WKTIGYIYJKESCJ-JJWMBMNSSA-N
InChI=1S/C28H46O3/c1-19(9-6-7-15-27(3,4)31)24-13-14-25-21(10-8-16-28(24,25)5)11-12-22-17-23(29)18-26(30)20(22)2/h11-12,19,23-26,29-31H,2,6-10,13-18H2,1,3-5H3/b21-11+,22-12-/t19-,23-,24-,25+,26+,28-/m1/s1

HIDE SMILES / InChI

Molecular Formula C28H46O3
Molecular Weight 430.663
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 2
Optical Activity UNSPECIFIED

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Target ID: P11473
Gene ID: 7421.0
Gene Symbol: VDR
Target Organism: Homo sapiens (Human)
Substance Class Chemical
Created
by admin
on Sat Dec 16 01:39:58 UTC 2023
Edited
by admin
on Sat Dec 16 01:39:58 UTC 2023
Record UNII
F35KTH803S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
24-HOMO-1,25-DIHYDROXYVITAMIN D3
Common Name English
MC 1127
Code English
1,3-CYCLOHEXANEDIOL, 4-METHYLENE-5-((2E)-((1R,3AS,7AR)-OCTAHYDRO-1-((1R)-6-HYDROXY-1,6-DIMETHYLHEPTYL)-7A-METHYL-4H-INDEN-4-YLIDENE)ETHYLIDENE)-, (1R,3S,5Z)-
Common Name English
METHYLENE CALCITRIOL
Common Name English
1,3-CYCLOHEXANEDIOL, 4-METHYLENE-5-(2-(OCTAHYDRO-1-(6-HYDROXY-1,6-DIMETHYLHEPTYL)-7A-METHYL-4H-INDEN-4-YLIDENE)ETHYLIDENE)-, (1R-(1.ALPHA.(R*),3A.BETA.,4E(1R*,3S*,5Z),7A.ALPHA.))-
Common Name English
MC-1127
Common Name English
1,3-CYCLOHEXANEDIOL, 4-METHYLENE-5-((2E)-2-((1R,3AS,7AR)-OCTAHYDRO-1-((1R)-6-HYDROXY-1,6-DIMETHYLHEPTYL)-7A-METHYL-4H-INDEN-4-YLIDENE)ETHYLIDENE)-, (1R,3S,5Z)-
Common Name English
(5Z,7E)-1.ALPHA.,3.BETA.-DIHYDROXY-17-((R)-7-HYDROXY-7-METHYLOCTAN-2-YL)-9,10-SECOANDROSTA-5,7,10(19)-TRIENE
Common Name English
Code System Code Type Description
CAS
103656-40-2
Created by admin on Sat Dec 16 01:39:58 UTC 2023 , Edited by admin on Sat Dec 16 01:39:58 UTC 2023
PRIMARY
FDA UNII
F35KTH803S
Created by admin on Sat Dec 16 01:39:58 UTC 2023 , Edited by admin on Sat Dec 16 01:39:58 UTC 2023
PRIMARY
DAILYMED
F35KTH803S
Created by admin on Sat Dec 16 01:39:58 UTC 2023 , Edited by admin on Sat Dec 16 01:39:58 UTC 2023
PRIMARY
RXCUI
1423458
Created by admin on Sat Dec 16 01:39:58 UTC 2023 , Edited by admin on Sat Dec 16 01:39:58 UTC 2023
PRIMARY RxNorm
PUBCHEM
9547481
Created by admin on Sat Dec 16 01:39:58 UTC 2023 , Edited by admin on Sat Dec 16 01:39:58 UTC 2023
PRIMARY
DRUG BANK
DB15557
Created by admin on Sat Dec 16 01:39:58 UTC 2023 , Edited by admin on Sat Dec 16 01:39:58 UTC 2023
PRIMARY
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