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Doxercalciferol

Doxercalciferol structure

CAS No:
54573-75-0
Formula:
C28H44O2
Chemical Name:
Doxercalciferol
Synonyms:
1,3-Cyclohexanediol,4-methylene-5-[(2E)-2-[(1R,3aS,7aR)-octahydro-7a-methyl-1-[(1R,2E,4R)-1,4,5-trimethyl-2-hexen-1-yl]-4H-inden-4-ylidene]ethylidene]-,(1R,3S,5Z)-;9,10-Secoergosta-5,7,10(19),22-tetraene-1,3-diol,(1α,3β,5Z,7E,22E,24R)-;(1R,3S,5Z)-4-Methylene-5-[(2E)-2-[(1R,3aS,7aR)-octahydro-7a-methyl-1-[(1R,2E,4R)-1,4,5-trimethyl-2-hexen-1-yl]-4H-inden-4-ylidene]ethylidene]-1,3-cyclohexanediol;1α-Hydroxyvitamin D2;1α-Hydroxyergocalciferol;1-Hydroxyergocalciferol;1-Hydroxyvitamin D2;TSA 840;Doxercalciferol;Hectorol;125285-48-5;87649-67-0
Categories:
Active Pharmaceutical Ingredients > Other Chemical Drugs

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Description

Doxercalciferol is a Vitamin D2 analog, acts as an activator of Vitamin D receptor, and prevent renal disease.

Doxercalciferol Basic Attributes

Molecular Weight：

412.65

Exact Mass：

412.65

DSSTox ID：

DTXSID1034214|DTXSID30617847

HScode：

2936299055

Characteristics

PSA：

40.5 Å²

Density：

1.0±0.1 g/cm3

Melting Point：

138-140°C

Flash Point：

224.0±24.7 °C

Refractive Index：

1.541

Water Solubility：

DMSO: >10mg/mL

Storage Conditions：

Desiccate at -20°C

Toxicity：

LD50 orally in rats: 3.5-6.5 mg/kg (Sjden)

Safety Information

Packing level：

Ⅲ

Transport codes：

UN 2811 6.1 / PGIII

wgk germany：

hazard class code：

safety instructions：

28-36/37-45

RTECS Number：

VS2950000

Marks：

T+

Precautionary statement(s)：

P264-P301 + P310

Hazard Statements：

H300

GHS Classification：

|Danger|H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]|P264, P270, P301+P310, P321, P330, P405, and P501|Aggregated GHS information provided by 50 companies from 2 notifications to the ECHA C&L Inventory.|P201, P202, P264, P270, P281, P301+P310, P308+P313, P321, P330, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Doxercalciferol Use and Manufacturing

Synthetic vitamin D prohormone. A new active Vitamin D analog which inhibits growth of human neuroblastoma.Antihyperparathyroid

Computed Properties

Molecular Weight:412.6
XLogP3:6.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:412.334130642
Monoisotopic Mass:412.334130642
Topological Polar Surface Area:40.5
Heavy Atom Count:30
Complexity:712
Undefined Atom Stereocenter Count:7
Undefined Bond Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 54573-75-0

Grade: Pharmaceutical Grade

Content: 99%

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