UCSF

ZINC12484926

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 29 Yes

Popular Name: CALCIFEDIOL CALCIFEDIOL

Find On: PubMed — Wikipedia — Google

CAS Numbers: 19356-17-3 , 63283-36-3 , 73809-05-9

Other Names:

(1R,3Z)-3-[(2E)-2-[(1R,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol

(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol

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

(3beta,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-3,25-diol

(3S,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-3,25-diol

(3S,5Z,7E)-9,10-secocholesta-5,7,10-triene-3,25-diol

(5Z,7E)-(3R)-9,10-seco-5,7,10(19)-cholestatriene-3,25-diol

(5Z,7E)-(3S)-9,10-secocholesta-5,7,10(19)-triene-3,25-diol

(5Z,7E)-9,10-Seco-5,7,10(19)-cholestatrien-3beta,25-diol

17938_FLUKA

17938_SIGMA

19356-17-3

25(OH)D3

25-(OH)Vitamin D3

25-Hydroxy-3-epivitamin D3

25-Hydroxycholecalciferol

25-Hydroxycholecalciferol (Calcifediol)

25-Hydroxycholescalciferol

25-Hydroxyvitamin D

25-hydroxyvitamin D3

25-Hydroxyvitamin D3 monohydrate

25631-40-7

3-Epi-25-Hydroxyvitamin D3

3-Epi-25-Hydroxyvitamin-D3

3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANOL

5,6-cis-25-Hydroxyvitamin D3

5,6-trans-25-Hydroxycholescalciferol

5,6-trans-9,10-Seco-5,7,10(19)-cholestatrien-3beta,25-diol

9,10-Secocholesta-5,7,10(19)-triene-1,25-diol, (3.beta,.5Z,7E)-

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

9,10-Secocholesta-5,7,10(19)-triene-3beta,25-diol

AC1NR2WF

AC1O5GOQ

B91135EC-8937-4D8B-A533-CCD82F33C1B0

BAN

BML2-E02

BSPBio_001411

C01561

calci-

Calcidiol

Calcifediol

Calcifediol (BAN

Calcifediol (FDA

Calcifediol anhydrous

Calcifediolum

Calcifediolum [INN-Latin]

Calcifidiol

Calderol

CHEBI:17933

CHEMBL1040

CHEMBL1222

Cholecalciferol, 25-hydroxy-

CID5283731

CID6433735

DAP000290

DB00146

Delakmin

EINECS 242-990-9

FDA

H4014_SIGMA

HMS1361G13

HMS1791G13

HMS1989G13

HMS2089L21

IDI1_033881

INN

LMST03020246

MFCD00867077

MolPort-003-927-271

NCGC00161326-01

NCGC00161326-04

Ro 8-8892

S1469_Selleck

Spectrum5_001931

U-32070E

UNII-T0WXW8F54E

USAN

USP)

VDY

ZINC04474414

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.47 10.29 -3.94 2 2 0 40 400.647 6 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5922571; US6015678; WO1998039444A1; WO2000038650A1 IBM Patent Data

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Analogs ( Draw Identity 99% 90% 80% 70% )