CALCITRIOL

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H44O3
Molecular Weight	416.6365
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure of CALCITRIOL

Structure Search

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)CCCC(C)(C)O

InChI

InChIKey=GMRQFYUYWCNGIN-NKMMMXOESA-N

InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C27H44O3
Molecular Weight	416.6365
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	2
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:48:11 UTC 2023` Edited by `admin` on `Fri Dec 15 15:48:11 UTC 2023`
Record UNII	FXC9231JVH
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

CALCITRIOL

Official Name

English

CALCITRIOL [MART.]

Common Name

English

VECTICAL

Brand Name

English

CALCITRIOL [VANDF]

Common Name

English

ROCALTROL

Brand Name

English

CALCIJEX

Brand Name

English

CALCITRIOL [USP MONOGRAPH]

Common Name

English

CALCITRIOL [EP MONOGRAPH]

Common Name

English

(1S,3R,5Z,7E)-9,10-SECOCHOLESTA-5,7,10-TRIENE-1,3,25-TRIOL

Common Name

English

CALCITRIOL [USP-RS]

Common Name

English

RO-21-5535

Code

English

CALCITRIOL [JAN]

Common Name

English

RO-215535

Code

English

Calcitriol [WHO-DD]

Common Name

English

CALCITRIOL [HSDB]

Common Name

English

CALCITRIOL [ORANGE BOOK]

Common Name

English

calcitriol [INN]

Common Name

English

1,25-DIHYDROXY VITAMIN D3

Common Name

English

1,25-HYDROXYLATED VITAMIN D

Common Name

English

1,25-DIHYDROXYVITAMIN D3

Common Name

English

RO 21-5535

Code

English

CALCITRIOL [USAN]

Common Name

English

CALCITRIOL [MI]

Common Name

English

9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL, (1.ALPHA.,3.BETA.,5Z,7E)-

Common Name

English

(5Z,7E)-9,10-Secocholesta-5,7,10(19)-triene-1α,3β,25-triol

Common Name

English

1,25-DIHYDROXYCHOLECALCIFEROL, (1ALPHA)-

Common Name

English

Classification Tree Code System Code

NDF-RT

N0000006996

Created by admin on Fri Dec 15 15:48:11 UTC 2023 , Edited by admin on Fri Dec 15 15:48:11 UTC 2023

WHO-VATC

QD05AX03

Created by admin on Fri Dec 15 15:48:11 UTC 2023 , Edited by admin on Fri Dec 15 15:48:11 UTC 2023

NCI_THESAURUS

C39713

Created by admin on Fri Dec 15 15:48:11 UTC 2023 , Edited by admin on Fri Dec 15 15:48:11 UTC 2023

LOINC

1649-3

Created by admin on Fri Dec 15 15:48:11 UTC 2023 , Edited by admin on Fri Dec 15 15:48:11 UTC 2023

LIVERTOX

140

Created by admin on Fri Dec 15 15:48:11 UTC 2023 , Edited by admin on Fri Dec 15 15:48:11 UTC 2023

NDF-RT

N0000006996

Created by admin on Fri Dec 15 15:48:11 UTC 2023 , Edited by admin on Fri Dec 15 15:48:11 UTC 2023

WHO-ATC

A11CC04

Created by admin on Fri Dec 15 15:48:11 UTC 2023 , Edited by admin on Fri Dec 15 15:48:11 UTC 2023

NDF-RT

N0000006996

Created by admin on Fri Dec 15 15:48:11 UTC 2023 , Edited by admin on Fri Dec 15 15:48:11 UTC 2023

NDF-RT

N0000006996

Created by admin on Fri Dec 15 15:48:11 UTC 2023 , Edited by admin on Fri Dec 15 15:48:11 UTC 2023

LOINC

14566-4

Created by admin on Fri Dec 15 15:48:11 UTC 2023 , Edited by admin on Fri Dec 15 15:48:11 UTC 2023

NDF-RT

N0000175908

Created by admin on Fri Dec 15 15:48:11 UTC 2023 , Edited by admin on Fri Dec 15 15:48:11 UTC 2023

WHO-VATC

QA11CC04

Created by admin on Fri Dec 15 15:48:11 UTC 2023 , Edited by admin on Fri Dec 15 15:48:11 UTC 2023

WHO-ATC

D05AX03

Created by admin on Fri Dec 15 15:48:11 UTC 2023 , Edited by admin on Fri Dec 15 15:48:11 UTC 2023

NCI_THESAURUS

C1934

Created by admin on Fri Dec 15 15:48:11 UTC 2023 , Edited by admin on Fri Dec 15 15:48:11 UTC 2023

Code System Code Type Description

IUPHAR

2779

Created by admin on Fri Dec 15 15:48:11 UTC 2023 , Edited by admin on Fri Dec 15 15:48:11 UTC 2023

PRIMARY

ECHA (EC/EINECS)

250-963-8

Created by admin on Fri Dec 15 15:48:11 UTC 2023 , Edited by admin on Fri Dec 15 15:48:11 UTC 2023

PRIMARY

PUBCHEM

5280453

Created by admin on Fri Dec 15 15:48:11 UTC 2023 , Edited by admin on Fri Dec 15 15:48:11 UTC 2023

PRIMARY

SMS_ID

100000092790

Created by admin on Fri Dec 15 15:48:11 UTC 2023 , Edited by admin on Fri Dec 15 15:48:11 UTC 2023

PRIMARY

WIKIPEDIA

CALCITRIOL

Created by admin on Fri Dec 15 15:48:11 UTC 2023 , Edited by admin on Fri Dec 15 15:48:11 UTC 2023

PRIMARY

CHEBI

17823

Created by admin on Fri Dec 15 15:48:11 UTC 2023 , Edited by admin on Fri Dec 15 15:48:11 UTC 2023

PRIMARY

MERCK INDEX

m2917

Created by admin on Fri Dec 15 15:48:11 UTC 2023 , Edited by admin on Fri Dec 15 15:48:11 UTC 2023

PRIMARY

Merck Index

DRUG BANK

DB00136

Created by admin on Fri Dec 15 15:48:11 UTC 2023 , Edited by admin on Fri Dec 15 15:48:11 UTC 2023

PRIMARY

RS_ITEM_NUM

1086301

Created by admin on Fri Dec 15 15:48:11 UTC 2023 , Edited by admin on Fri Dec 15 15:48:11 UTC 2023

PRIMARY

MESH

D002117

Created by admin on Fri Dec 15 15:48:11 UTC 2023 , Edited by admin on Fri Dec 15 15:48:11 UTC 2023

PRIMARY

EPA CompTox

DTXSID5022722

Created by admin on Fri Dec 15 15:48:11 UTC 2023 , Edited by admin on Fri Dec 15 15:48:11 UTC 2023

PRIMARY

INN

4393

Created by admin on Fri Dec 15 15:48:11 UTC 2023 , Edited by admin on Fri Dec 15 15:48:11 UTC 2023

PRIMARY

ChEMBL

CHEMBL846

Created by admin on Fri Dec 15 15:48:11 UTC 2023 , Edited by admin on Fri Dec 15 15:48:11 UTC 2023

PRIMARY

DAILYMED

FXC9231JVH

Created by admin on Fri Dec 15 15:48:11 UTC 2023 , Edited by admin on Fri Dec 15 15:48:11 UTC 2023

PRIMARY

DRUG CENTRAL

466

Created by admin on Fri Dec 15 15:48:11 UTC 2023 , Edited by admin on Fri Dec 15 15:48:11 UTC 2023

PRIMARY

NCI_THESAURUS

C330

Created by admin on Fri Dec 15 15:48:11 UTC 2023 , Edited by admin on Fri Dec 15 15:48:11 UTC 2023

PRIMARY

HSDB

3482

Created by admin on Fri Dec 15 15:48:11 UTC 2023 , Edited by admin on Fri Dec 15 15:48:11 UTC 2023

PRIMARY

EVMPD

SUB06047MIG

Created by admin on Fri Dec 15 15:48:11 UTC 2023 , Edited by admin on Fri Dec 15 15:48:11 UTC 2023

PRIMARY

RXCUI

1894

Created by admin on Fri Dec 15 15:48:11 UTC 2023 , Edited by admin on Fri Dec 15 15:48:11 UTC 2023

PRIMARY

RxNorm

FDA UNII

FXC9231JVH

Created by admin on Fri Dec 15 15:48:11 UTC 2023 , Edited by admin on Fri Dec 15 15:48:11 UTC 2023

PRIMARY

LACTMED

Calcitriol

Created by admin on Fri Dec 15 15:48:11 UTC 2023 , Edited by admin on Fri Dec 15 15:48:11 UTC 2023

PRIMARY

CAS

32222-06-3

Created by admin on Fri Dec 15 15:48:11 UTC 2023 , Edited by admin on Fri Dec 15 15:48:11 UTC 2023

PRIMARY

Related Record Type Details


					NCLYIS90CD

25-HYDROXYVITAMIN D-1 ALPHA HYDROXYLASE, MITOCHONDRIAL

METABOLIC ENZYME -> SUBSTRATE

Amount:


					FXC9231JVH

BASIS OF STRENGTH->SUBSTANCE

Interaction Type:

ASSAY (HPLC)

Qualification:

EP

Amount:


					FXC9231JVH

BASIS OF STRENGTH->SUBSTANCE

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

USP

Amount:


					97SK7L66LH

CALCITRIOL MONOHYDRATE

SALT/SOLVATE -> PARENT

Amount:


					97SK7L66LH

CALCITRIOL MONOHYDRATE

SOLVATE->ANHYDROUS

Amount:


					2WDS5F2V6Q

DERIVATIVE -> PARENT

Amount:


					6D53G0FD0Z

PLASMA PROTEIN FRACTION (HUMAN)

BINDER->LIGAND

Interaction Type:

BINDING

Amount:

Related Record Type Details


					4HF9ADM3YJ

3.BETA.-D-GLUCOPYRANOSYLCALCITRIOL

PARENT -> METABOLITE ACTIVE

Amount:


					1C6V77QF41

Cholecalciferol

PRODRUG -> METABOLITE ACTIVE

Comments:

The conversion of calcidiol to calcitriol is catalyzed by the enzyme 25-hydroxyvitamin D3 1-alpha-hydroxylase (CYP27B1).

Amount:


					F7KIE52YT0

CALCITROIC ACID

METABOLITE INACTIVE -> PARENT

Interaction Type:

MAJOR

Amount:

Related Record Type Details


					I1L29CLX3C

TRANS-CALCITRIOL

IMPURITY -> PARENT

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

USP

Amount:


					IR1PLU81NA

1.BETA.-CALCITRIOL

IMPURITY -> PARENT

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

USP

Amount:


					IR1PLU81NA

1.BETA.-CALCITRIOL

IMPURITY -> PARENT

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount:


					24K9ZFN9MV

TRIAZOLINE ADDUCT OF PRE-CALCITRIOL

IMPURITY -> PARENT

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount:


					F35KTH803S

24-HOMO-1,25-DIHYDROXYVITAMIN D3

IMPURITY -> PARENT

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

USP

Amount:


					24K9ZFN9MV

TRIAZOLINE ADDUCT OF PRE-CALCITRIOL

IMPURITY -> PARENT

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

USP

Amount:


					I1L29CLX3C

TRANS-CALCITRIOL

IMPURITY -> PARENT

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount:

Related Record Type Details


					FXC9231JVH

ACTIVE MOIETY

Amount:

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