CAS No.96684-40-1,Piroxicambetadex Suppliers

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Basic Information

Molecular Structure:
CAS No.:	96684-40-1
Name:	Piroxicambetadex

Formula:	C₄₂H₇₀O₃₅· 2/5 C₁₅H₁₃N₃O₄S
Molecular Weight:	1465.43
Synonyms:	Brexin;2H-1,2-Benzothiazine-3-carboxamide, 4-hydroxy-2-methyl-N-2-pyridinyl-,1,1-dioxide, compd with beta-cyclodextrin (2:5);Cicladol;Piroxicam-beta-cyclodextrin complex;beta-Cyclodextrin, compd with 4-hydroxy-2-methyl-N-2-pyridinyl-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide (5:2);a-Cyclodextrin,compd. with 4-hydroxy-2-methyl-N-2-pyridinyl-2H-1,- 2-benzothiazine-3-carboxamide 1,1-dioxide (5:2);Piroxicam betadex [USAN];Brexicam;

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Specification

The Piroxicam betadex, with the CAS registry number 96684-40-1, is also known as Brexidol. This chemical's molecular formula is C₄₂H₇₀O₃₅· 2/5 C₁₅H₁₃N₃O₄S and molecular weight is 1465.43. What's more, its systematic name is beta-Cyclodextrin, compd with 4-hydroxy-2-methyl-N-2-pyridinyl-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide (5:2). Its classification codes are: (1)Analgesic; (2)Analgesics; (3)Anti-inflammatory; (4)Antirheumatic.

Physical properties of Piroxicam betadex are: (1)#H bond acceptors: 42; (2)#H bond donors: 23; (3)#Freely Rotating Bonds: 30; (4)Polar Surface Area: 662.03 Å².

You can still convert the following datas into molecular structure:
(1)SMILES: O[C@@H]2[C@@H](O)[C@@H]1O[C@H]8O[C@H](CO)[C@@H](O[C@H]7O[C@H](CO)[C@@H](O[C@H]6O[C@H](CO)[C@@H](O[C@H]5O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O[C@H]2O[C@@H]1CO)[C@H](O)[C@H]3O)[C@H](O)[C@H]4O)[C@H](O)[C@H]5O)[C@H](O)[C@H]6O)[C@H](O)[C@H]7O)[C@H](O)[C@H]8O.OC=2c1ccccc1S(=O)(=O)N(C)C=2C(=O)Nc3ccccn3
(2)Std. InChI: InChI=1S/C42H70O35.C15H13N3O4S/c43-1-8-29-15(50)22(57)36(64-8)72-30-9(2-44)66-38(24(59)17(30)52)74-32-11(4-46)68-40(26(61)19(32)54)76-34-13(6-48)70-42(28(63)21(34)56)77-35-14(7-49)69-41(27(62)20(35)55)75-33-12(5-47)67-39(25(60)18(33)53)73-31-10(3-45)65-37(71-29)23(58)16(31)51;1-18-13(15(20)17-12-8-4-5-9-16-12)14(19)10-6-2-3-7-11(10)23(18,21)22/h8-63H,1-7H2;2-9,19H,1H3,(H,16,17,20)/t8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-;/m1./s1
(3)Std. InChIKey: LBPBSKKEZXLVBQ-ZQOBQRRWSA-N