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Home > Encyclopedia > Atorvastatin hemicalcium trihydrate

Atorvastatin hemicalcium trihydrate

pharmaceutical raw materials
Atorvastatin hemicalcium trihydrate structure

Atorvastatin hemicalcium trihydrate 

structure
  • CAS No:

    344423-98-9

  • Formula:

    C33H35FN2O5.1/2Ca.3/2H2O

  • Chemical Name:

    Atorvastatin hemicalcium trihydrate

  • Synonyms:

    1H-Pyrrole-1-heptanoic acid,2-(4-fluorophenyl)-β,δ-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-,calcium salt,hydrate (2:1:3),(βR,δR)-;1H-Pyrrole-1-heptanoic acid,2-(4-fluorophenyl)-β,δ-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-,calcium salt (2:1),trihydrate,(βR,δR)-;Atorvastatin hemicalcium trihydrate;Atorvastatin hemicalcium sesquihydrate;Atorvastatin calcium sesquihydrate;1035205-53-8;1574495-40-1

  • Categories:

    Analytical Chemistry  >  Analysis Reagents

Description

White or almost white powder.

Atorvastatin hemicalcium trihydrate Basic Attributes

1209.408

1208.484619

DTXSID50110042

2933995300

Characteristics

232

9.91090

Very slightly soluble in water, slightly soluble in ethanol (96 per cent), practically insoluble in methylene chloride.

Safety Information

NONH for all modes of transport

3

61-36

53-26-45

T

P201-P280-P305 + P351 + P338-P308 + P313-P337 + P313

H319-H360D

|Danger|H302 (16.67%): Harmful if swallowed [Warning Acute toxicity, oral]|P201, P202, P260, P261, P263, P264, P270, P271, P280, P281, P301+P312, P302+P352, P304+P340, P305+P351+P338, P308+P313, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 7 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Atorvastatin hemicalcium trihydrate Use and Manufacturing

HMG Co-A reductase inhibitor; lipid-regulating drug.

Computed Properties

Molecular Weight:1209.4
Hydrogen Bond Donor Count:9
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:26
Exact Mass:1208.4846356
Monoisotopic Mass:1208.4846356
Topological Polar Surface Area:232
Heavy Atom Count:86
Complexity:1790
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:6
Compound Is Canonicalized:Yes

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