UCSF

ZINC13911941

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 29th, 2008 30 Yes

Popular Name: Paricalcitol Paricalcitol

Find On: PubMed — Wikipedia — Google

CAS Number: 131918-61-1

Other Names:

(1alpha.3beta,7E,22E)-19-Nor-9,10-secoergosta-5,7,22-triene-1,3,25-triol

(1alpha.3beta,7E,22E)-19-Nor-9,10-secoergosta-5,7,22-triene-1,3,25-triol; (7E,22E)-19-Nor-9,10-secoergosta-5,7,22-triene-1alpha,3beta,25-triol; 19-Nor-1,25-(OH)2D2; 19-Nor-1-alpha,25-dihydroxyvitamin D2; 19-Nor-1alpha,25-dihydroxyvitamin D2; 19-Nor-9,10-s

(1R,3R)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol

(1R,3R,7E)-17beta-[(2R,3E,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-9,10-secoestra-5,7-diene-1,3-diol

(7E,22E)-19-Nor-9,10-secoergosta-5,7,22-triene-1alpha,3beta,25-triol

calci-

131918-61-1

131918-61-1; 19-Nor-1alpha,25-dihydroxyvitamin D2; C08127; Paricalcitol

131918-61-1; D00930; Paricalcitol (JAN/USAN/INN); Zemplar (TN)

19-Nor-1,25-(OH)2D2

19-Nor-1-alpha,25-dihydroxyvitamin D2

19-Nor-1alpha,25-dihydroxyvitamin D2

19-Nor-1alpha,25-dihydroxyvitamin D2; Paricalcitol

19-Nor-9,10-secoergosta-5,7,22-triene-1,3,25-triol, (1alpha,3beta,7E,22E)-

19-Nor-9,10-secoergosta-5,7,22-triene-1,3,25-triol,(1alpha,3beta,7E,22E)

Ab 122358

Abbott brand of paricalcitol

ABT-358

AC-1198

AC1NQY0Z

AKOS005145562

BIDD:GT0330

C08127

C084656

CHEBI:7931

CHEMBL1200622

CID5281104

Compound 49510

Compound-49510

D00930

DAP000211

DB00910

FDA

HSDB 7360

INN

LMST04030163

LS-172812

MFCD08067734

Paracalcin

Paricalcitol (FDA

Paricalcitol (INN

Paricalcitol (USAN/INN)

Paricalcitol [USAN]

Paricalcitol, 19-nor-(OH)2-vitD2, paracalcin

UNII-6702D36OG5

USAN

USAN)

USP

USP)

Zemplar

Zemplar (TN)

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) 4.50 7.01 -5.38 3 3 0 61 416.646 5 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 6.80e-03 g/l DrugBank-approved
Patent Database Links EP1757944; EP1970048; EP1970049; US2007149489 ChEBI
PUBCHEM_PATENT_ID WO2000050007A1; WO2000061112A2; WO2000064450A1; WO2000072827A2 IBM Patent Data

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