1A,25-二羟基胆钙化醇

Description

1A,25-dihydroxycholecalciferol · CAS 32222-06-3 · C27H44O3. UNII FXC9231JVH. Melting Point: 113-114; Melting Point: 111-115 °C; Melting Point: 113 °C.

Identification

CAS Registry Number	32222-06-3
PubChem CID	5280453
Molecular formula	C27H44O3
IUPAC name	trans-(1R,3S,5Z)-5-[(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-methylidenecyclohexane-1,3-diol
UNII (FDA)	FXC9231JVH

Computed Descriptors

Molecular Weight	416.6
XLogP3	5.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	416.32904526
Monoisotopic Mass	416.32904526
Topological Polar Surface Area	60.7
Heavy Atom Count	30
Formal Charge	0

Physical & Chemical Properties

Melting Point	113-114
Melting Point	111-115 °C
Melting Point	113 °C

Physical description & handling notes

• White solid; [Merck Index]
• Solid
• Colorless, crystalline solid
• White crystalline powder
• Insoluble
• Slightly sol in methanol, ethanol, ethyl acetate, THF.

GHS Hazard Classification

Reported hazard statements	H300 (100%), H310 (96.7%), H330 (49.5%), H361 (98.9%)

Documented Uses

• Active form of vitamin D3 used therapeutically (calcium regulator, vitamin, antihyperparathyroid, antineoplastic, and antipsoriatic); [Merck Index]
• Bone Density Conservation Agents; Calcium Channel Agonist; Vitamins
• Regulates turnover of calcium in the body.
• Consumption (g per capita) in the USA (2002): 2.16e-08
• Used to treat vitamin D deficiency or insufficiency, refractory rickets (vitamin D resistant rickets), familial hypophosphatemia and hypoparathyroidism, and in the management of hypocalcemia and renal osteodystrophy in patients with chronic renal failure undergoing dialysis. Also used in conjunction with calcium in the management and prevention of primary or corticosteroid-induced osteoporosis.
• 1-alpha-hydroxycholecalciferol, 1-OHD3, is synthetic derivative of vitamin D3 that is hydroxylated in 1-alpha position. It is readily hydroxylated in the 25 position by hepatic microsomal system to form 1,25-dihydroxycholecalciferol and was therefore introduced as substitute for this compound.

Synonyms

calcitriol; Rocaltrol; 32222-06-3; Calcijex; Topitriol; 1alpha,25-Dihydroxyvitamin D3; Soltriol; Silkis; 1alpha,25-Dihydroxycholecalciferol; Dihydroxyvitamin D3; Vectical; 1,25-DHCC; Calcitriolum; 1,25-DIHYDROXYCHOLECALCIFEROL; 1alpha,25(OH)2D3; Ro 21-5535

Frequently Asked Questions

What are the CAS number and molecular formula of 1A,25-dihydroxycholecalciferol?

CAS 32222-06-3; molecular formula C27H44O3; molecular weight — g/mol.

What other names is 1A,25-dihydroxycholecalciferol known by?

calcitriol, Rocaltrol, 32222-06-3, Calcijex, Topitriol, 1alpha,25-Dihydroxyvitamin D3.

Is 1A,25-dihydroxycholecalciferol classified as hazardous?

Hazard statements reported: H300, H310, H330, H361.

What are the key physical properties of 1A,25-dihydroxycholecalciferol?

Melting Point: 113-114; Melting Point: 111-115 °C; Melting Point: 113 °C.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.