CALCIFEDIOL

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NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H44O2.H2O
Molecular Weight	418.6523
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure of CALCIFEDIOL

Structure Search

SMILES

O.[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=WRLFSJXJGJBFJQ-WPUCQFJDSA-N

InChI=1S/C27H44O2.H2O/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;1H2/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

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:03:42 UTC 2023` Edited by `admin` on `Fri Dec 15 16:03:42 UTC 2023`
Record UNII	P6YZ13C99Q
Record Status	`Validated (UNII)`
Record Version

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Related Record	Type

Name

Type

Language

CALCIFEDIOL

Official Name

English

CALCIFEDIOL [VANDF]

Common Name

English

U-32070E

Code

English

HIDROFEROL

Brand Name

English

DIDROGYL

Brand Name

English

CALCIFEDIOL [EP IMPURITY]

Common Name

English

CALCIFEDIOL [ORANGE BOOK]

Common Name

English

CALCIFEDIOL HYDRATE

Common Name

English

CALCIFEDIOL [USAN]

Common Name

English

U-32,070E

Code

English

9,10-Secocholesta-5,7,10(19)-triene-3,25-diol, monohydrate, (3β,5Z,7E)-

Systematic Name

English

25-Hydroxycholecalciferol monohydrate

Common Name

English

1H-Indene-1-pentanol, 4-[(2Z)-2-[(5S)-5-hydroxy-2-methylenecyclohexylidene]ethylidene]octahydro-α,α,ε,7a-tetramethyl-, hydrate (1:1), (εR,1R,3aS,4E,7aR)-

Systematic Name

English

CALCIFEDIOL [USP-RS]

Common Name

English

Calcifediol monohydrate [WHO-DD]

Common Name

English

CALDEROL

Brand Name

English

CALCIFEDIOL [USP MONOGRAPH]

Common Name

English

Calcifediol [WHO-DD]

Common Name

English

Classification Tree Code System Code

LIVERTOX

138

Created by admin on Fri Dec 15 16:03:43 UTC 2023 , Edited by admin on Fri Dec 15 16:03:43 UTC 2023

NCI_THESAURUS

C39713

Created by admin on Fri Dec 15 16:03:43 UTC 2023 , Edited by admin on Fri Dec 15 16:03:43 UTC 2023

WHO-ATC

A11CC06

Created by admin on Fri Dec 15 16:03:43 UTC 2023 , Edited by admin on Fri Dec 15 16:03:43 UTC 2023

WHO-VATC

QA11CC06

Created by admin on Fri Dec 15 16:03:43 UTC 2023 , Edited by admin on Fri Dec 15 16:03:43 UTC 2023

Code System Code Type Description

FDA UNII

P6YZ13C99Q

Created by admin on Fri Dec 15 16:03:43 UTC 2023 , Edited by admin on Fri Dec 15 16:03:43 UTC 2023

PRIMARY

DRUG BANK

DBSALT002443

Created by admin on Fri Dec 15 16:03:43 UTC 2023 , Edited by admin on Fri Dec 15 16:03:43 UTC 2023

PRIMARY

DAILYMED

P6YZ13C99Q

Created by admin on Fri Dec 15 16:03:43 UTC 2023 , Edited by admin on Fri Dec 15 16:03:43 UTC 2023

PRIMARY

PUBCHEM

6441383

Created by admin on Fri Dec 15 16:03:43 UTC 2023 , Edited by admin on Fri Dec 15 16:03:43 UTC 2023

PRIMARY

SMS_ID

300000038170

Created by admin on Fri Dec 15 16:03:43 UTC 2023 , Edited by admin on Fri Dec 15 16:03:43 UTC 2023

PRIMARY

RXCUI

1889

Created by admin on Fri Dec 15 16:03:43 UTC 2023 , Edited by admin on Fri Dec 15 16:03:43 UTC 2023

PRIMARY

RxNorm

ChEMBL

CHEMBL1040

Created by admin on Fri Dec 15 16:03:43 UTC 2023 , Edited by admin on Fri Dec 15 16:03:43 UTC 2023

PRIMARY

DRUG CENTRAL

464

Created by admin on Fri Dec 15 16:03:43 UTC 2023 , Edited by admin on Fri Dec 15 16:03:43 UTC 2023

PRIMARY

WIKIPEDIA

CALCIFEDIOL

Created by admin on Fri Dec 15 16:03:43 UTC 2023 , Edited by admin on Fri Dec 15 16:03:43 UTC 2023

PRIMARY

CAS

63283-36-3

Created by admin on Fri Dec 15 16:03:43 UTC 2023 , Edited by admin on Fri Dec 15 16:03:43 UTC 2023

PRIMARY

NCI_THESAURUS

C65278

Created by admin on Fri Dec 15 16:03:43 UTC 2023 , Edited by admin on Fri Dec 15 16:03:43 UTC 2023

PRIMARY

CHEBI

17933

Created by admin on Fri Dec 15 16:03:43 UTC 2023 , Edited by admin on Fri Dec 15 16:03:43 UTC 2023

PRIMARY

MESH

D002112

Created by admin on Fri Dec 15 16:03:43 UTC 2023 , Edited by admin on Fri Dec 15 16:03:43 UTC 2023

PRIMARY

RS_ITEM_NUM

1086108

Created by admin on Fri Dec 15 16:03:43 UTC 2023 , Edited by admin on Fri Dec 15 16:03:43 UTC 2023

PRIMARY

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CALCIFEDIOL ANHYDROUS

ANHYDROUS->SOLVATE


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CTAP-101

SUB_CONCEPT->SUBSTANCE

Amount:


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CALCIFEDIOL ANHYDROUS

PARENT -> SALT/SOLVATE

Amount:


					6D53G0FD0Z

PLASMA PROTEIN FRACTION (HUMAN)

BINDER->LIGAND

Interaction Type:

BINDING

Amount:

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IMPURITY -> PARENT

Amount:


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IMPURITY -> PARENT

Amount:


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25-HYDROXYCHOLECALCIFEROL, 5-TRANS-

IMPURITY -> PARENT

Amount:

Related Record Type Details


					T0WXW8F54E

CALCIFEDIOL ANHYDROUS

ACTIVE MOIETY

Amount:

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Biological Half-life	PHARMACOKINETIC

Volume of Distribution	PHARMACOKINETIC