FALECALCITRIOL

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H38F6O3
Molecular Weight	524.5792
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure of FALECALCITRIOL

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(O)(C(F)(F)F)C(F)(F)F

InChI

InChIKey=XPYGGHVSFMUHLH-UUSULHAXSA-N

InChI=1S/C27H38F6O3/c1-16(6-4-13-25(36,26(28,29)30)27(31,32)33)21-10-11-22-18(7-5-12-24(21,22)3)8-9-19-14-20(34)15-23(35)17(19)2/h8-9,16,20-23,34-36H,2,4-7,10-15H2,1,3H3/b18-8+,19-9-/t16-,20-,21-,22+,23+,24-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C27H38F6O3
Molecular Weight	524.5792
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 15:41:29 UTC 2023` Edited by `admin` on `Fri Dec 15 15:41:29 UTC 2023`
Record UNII	G70A8514T8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FALECALCITRIOL

Official Name

English

FALECALCITRIOL [JAN]

Common Name

English

Falecalcitriol [WHO-DD]

Common Name

English

falecalcitriol [INN]

Common Name

English

FALECALCITORIOL

Common Name

English

FALECALCITORIOL [JAN]

Common Name

English

(+)-(5Z,7E)-26,26,26,27,27,27-HEXAFLUORO-9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1.ALPHA.,3.BETA.,25-TRIOL

Common Name

English

FALECALCITRIOL [MART.]

Common Name

English

FLOCALCITRIOL

Common Name

English

HORNEL

Brand Name

English

Classification Tree Code System Code

NCI_THESAURUS

C39713

Created by admin on Fri Dec 15 15:41:29 UTC 2023 , Edited by admin on Fri Dec 15 15:41:29 UTC 2023

Code System Code Type Description

INN

7103

Created by admin on Fri Dec 15 15:41:29 UTC 2023 , Edited by admin on Fri Dec 15 15:41:29 UTC 2023

PRIMARY

EPA CompTox

DTXSID601027560

Created by admin on Fri Dec 15 15:41:29 UTC 2023 , Edited by admin on Fri Dec 15 15:41:29 UTC 2023

PRIMARY

EVMPD

SUB07498MIG

Created by admin on Fri Dec 15 15:41:29 UTC 2023 , Edited by admin on Fri Dec 15 15:41:29 UTC 2023

PRIMARY

PUBCHEM

5282190

Created by admin on Fri Dec 15 15:41:29 UTC 2023 , Edited by admin on Fri Dec 15 15:41:29 UTC 2023

PRIMARY

DRUG CENTRAL

1127

Created by admin on Fri Dec 15 15:41:29 UTC 2023 , Edited by admin on Fri Dec 15 15:41:29 UTC 2023

PRIMARY

MESH

C040488

Created by admin on Fri Dec 15 15:41:29 UTC 2023 , Edited by admin on Fri Dec 15 15:41:29 UTC 2023

PRIMARY

ChEMBL

CHEMBL2106158

Created by admin on Fri Dec 15 15:41:29 UTC 2023 , Edited by admin on Fri Dec 15 15:41:29 UTC 2023

PRIMARY

SMS_ID

100000081532

Created by admin on Fri Dec 15 15:41:29 UTC 2023 , Edited by admin on Fri Dec 15 15:41:29 UTC 2023

PRIMARY

CAS

83805-11-2

Created by admin on Fri Dec 15 15:41:29 UTC 2023 , Edited by admin on Fri Dec 15 15:41:29 UTC 2023

PRIMARY

FDA UNII

G70A8514T8

Created by admin on Fri Dec 15 15:41:29 UTC 2023 , Edited by admin on Fri Dec 15 15:41:29 UTC 2023

PRIMARY

NCI_THESAURUS

C80884

Created by admin on Fri Dec 15 15:41:29 UTC 2023 , Edited by admin on Fri Dec 15 15:41:29 UTC 2023

PRIMARY

WIKIPEDIA

FALECALCITRIOL

Created by admin on Fri Dec 15 15:41:29 UTC 2023 , Edited by admin on Fri Dec 15 15:41:29 UTC 2023

PRIMARY

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