Binder Information
| Binder General Information | Top | |||
|---|---|---|---|---|
| Binder ID |
BZQ2I3
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| Binder Name |
Atorvastatin calcium
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| Synonyms |
Lipitor; Sortis; Tahor; Atorvastatin Hemicalcium; CI-981; Atorvastatin calcium salt; UNII-C0GEJ5QCSO; Atorvastatin hemicalcium salt; CI 981; Torvast; C0GEJ5QCSO; Atorvastatin calcium hydrate; Sotis; Lipitor (TN); DSSTox_CID_24303; DSSTox_RID_80143; DSSTox_GSID_44303; Rotacor; Storvas; CHEMBL393220; Ranbaxy's Storvas; Atorvastatin calcium anhydrous; Atorvastatin calcium salt trihydrate; MFCD00899261; DRG-0321; NCGC00159458-03; YM 548; Atorvastan; Kolevas; Lipibec; Liprimar; Prevencor; Tulip; PD 134298-38A; Atorvastatin calcium [USAN:USP]; SCHEMBL3832; Lipitor; Atorvastatin calcium; Atorvastatin calcium anhydorous; DTXSID6044303; AOB6343; SYN3020; (C33H34FN2O5)2.Ca; Atorvastatin calcium salt anhydrous; HMS3884H03; ACT03226; KS-00000IS3; Tox21_111685; Tox21_302373; BDBM50442868; CA0146; YM-548; AKOS015896435; Tox21_111685_1; AM90286; AT-3134; CCG-270648; GS-3563; VA10343; NCGC00159458-05; NCGC00255845-01; SC-76963; SW219144-1; D00887; J-006551; Q27888052
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| Binder Type |
Small molecular drug
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| Structure |
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Download2D MOL
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| Formula |
C66H68CaF2N4O10
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| Canonical SMILES |
CC(C)C1=C(C(=C(N1CC[C@H](C[C@H](CC(=O)[O-])O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4.CC(C)C1=C(C(=C(N1CC[C@H](C[C@H](CC(=O)[O-])O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4.[Ca+2]
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| InChI |
1S/2C33H35FN2O5.Ca/c2*1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40;/h2*3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40);/q;;+2/p-2/t2*26-,27-;/m11./s1
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| InChIKey |
FQCKMBLVYCEXJB-MNSAWQCASA-L
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| PubChem Compound ID | ||||
| ChEBI ID |
CHEBI:50686
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