Atorvastatin hemicalcium trihydrate
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Atorvastatin hemicalcium trihydrate
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CAS No:
344423-98-9
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Formula:
C33H35FN2O5.1/2Ca.3/2H2O
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Chemical Name:
Atorvastatin hemicalcium trihydrate
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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
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CAS No:
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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Atorvastatin hemicalcium trihydrate
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