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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H44O2
Molecular Weight 400.6371
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of CALCIFEDIOL ANHYDROUS

SMILES

[H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C3\C[C@@H](O)CCC3=C)[C@H](C)CCCC(C)(C)O

InChI

InChIKey=JWUBBDSIWDLEOM-DTOXIADCSA-N
InChI=1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/b21-11+,22-12-/t20-,23+,24-,25+,27-/m1/s1

HIDE SMILES / InChI

Molecular Formula C27H44O2
Molecular Weight 400.6371
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 2
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:02:22 UTC 2023
Edited
by admin
on Fri Dec 15 15:02:22 UTC 2023
Record UNII
T0WXW8F54E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CALCIFEDIOL ANHYDROUS
Common Name English
CALCIDIOL
Common Name English
CALCIFEDIOL, ANHYDROUS
Common Name English
CALCIFEDIOL,ANHYDROUS
VANDF  
Common Name English
CALCIFEDIOL [MI]
Common Name English
calcifediol [INN]
Common Name English
CALCIFEDIOL,ANHYDROUS [VANDF]
Common Name English
Classification Tree Code System Code
LOINC 83071-1
Created by admin on Fri Dec 15 15:02:22 UTC 2023 , Edited by admin on Fri Dec 15 15:02:22 UTC 2023
NDF-RT N0000175908
Created by admin on Fri Dec 15 15:02:22 UTC 2023 , Edited by admin on Fri Dec 15 15:02:22 UTC 2023
NCI_THESAURUS C39713
Created by admin on Fri Dec 15 15:02:22 UTC 2023 , Edited by admin on Fri Dec 15 15:02:22 UTC 2023
LOINC 68438-1
Created by admin on Fri Dec 15 15:02:22 UTC 2023 , Edited by admin on Fri Dec 15 15:02:22 UTC 2023
LOINC 62292-8
Created by admin on Fri Dec 15 15:02:22 UTC 2023 , Edited by admin on Fri Dec 15 15:02:22 UTC 2023
WHO-ATC A11CC06
Created by admin on Fri Dec 15 15:02:22 UTC 2023 , Edited by admin on Fri Dec 15 15:02:22 UTC 2023
LOINC 83070-3
Created by admin on Fri Dec 15 15:02:22 UTC 2023 , Edited by admin on Fri Dec 15 15:02:22 UTC 2023
Code System Code Type Description
DAILYMED
T0WXW8F54E
Created by admin on Fri Dec 15 15:02:22 UTC 2023 , Edited by admin on Fri Dec 15 15:02:22 UTC 2023
PRIMARY
SMS_ID
100000081591
Created by admin on Fri Dec 15 15:02:22 UTC 2023 , Edited by admin on Fri Dec 15 15:02:22 UTC 2023
PRIMARY
INN
3057
Created by admin on Fri Dec 15 15:02:22 UTC 2023 , Edited by admin on Fri Dec 15 15:02:22 UTC 2023
PRIMARY
CHEBI
17933
Created by admin on Fri Dec 15 15:02:22 UTC 2023 , Edited by admin on Fri Dec 15 15:02:22 UTC 2023
PRIMARY
MERCK INDEX
m2911
Created by admin on Fri Dec 15 15:02:22 UTC 2023 , Edited by admin on Fri Dec 15 15:02:22 UTC 2023
PRIMARY Merck Index
DRUG BANK
DB00146
Created by admin on Fri Dec 15 15:02:22 UTC 2023 , Edited by admin on Fri Dec 15 15:02:22 UTC 2023
PRIMARY
PUBCHEM
5283731
Created by admin on Fri Dec 15 15:02:22 UTC 2023 , Edited by admin on Fri Dec 15 15:02:22 UTC 2023
PRIMARY
NCI_THESAURUS
C77155
Created by admin on Fri Dec 15 15:02:22 UTC 2023 , Edited by admin on Fri Dec 15 15:02:22 UTC 2023
PRIMARY
EVMPD
SUB32968
Created by admin on Fri Dec 15 15:02:22 UTC 2023 , Edited by admin on Fri Dec 15 15:02:22 UTC 2023
ALTERNATIVE
EVMPD
SUB06045MIG
Created by admin on Fri Dec 15 15:02:22 UTC 2023 , Edited by admin on Fri Dec 15 15:02:22 UTC 2023
PRIMARY
EPA CompTox
DTXSID0022721
Created by admin on Fri Dec 15 15:02:22 UTC 2023 , Edited by admin on Fri Dec 15 15:02:22 UTC 2023
PRIMARY
RXCUI
1855064
Created by admin on Fri Dec 15 15:02:22 UTC 2023 , Edited by admin on Fri Dec 15 15:02:22 UTC 2023
PRIMARY
FDA UNII
T0WXW8F54E
Created by admin on Fri Dec 15 15:02:22 UTC 2023 , Edited by admin on Fri Dec 15 15:02:22 UTC 2023
PRIMARY
ECHA (EC/EINECS)
242-990-9
Created by admin on Fri Dec 15 15:02:22 UTC 2023 , Edited by admin on Fri Dec 15 15:02:22 UTC 2023
PRIMARY
CAS
19356-17-3
Created by admin on Fri Dec 15 15:02:22 UTC 2023 , Edited by admin on Fri Dec 15 15:02:22 UTC 2023
PRIMARY
Related Record Type Details
SOLVATE->ANHYDROUS
LABELED -> NON-LABELED
SALT/SOLVATE -> PARENT
Related Record Type Details
PARENT -> METABOLITE ACTIVE