10,11-Dihydro-10-hydroxy Carbamazepine O-Beta-D-Glucuronide Sodium Salt(Mixture of Diastereomers)

分析物名称

10,11-Dihydro-10-hydroxy Carbamazepine O-beta-D-Glucuronide Sodium Salt(Mixture of Diastereomers)

分子式

C₂₁H₂₁N₂NaO₈

分子量

452.39

精确质量测定

452.12

SMILES

NC(N(C1=C2C=CC=C1)C3=C(C(O[C@@H]4O[C@H](C(O[Na])=O)[C@@H](O)[C@H](O)[C@H]4O)C2)C=CC=C3)=O

InChI

InChI=1S/C21H22N2O8.Na/c22-21(29)23-12-7-3-1-5-10(12)9-14(11-6-2-4-8-13(11)23)30-20-17(26)15(24)16(25)18(31-20)19(27)28;/h1-8,14-18,20,24-26H,9H2,(H2,22,29)(H,27,28);/q;+1/p-1/t14?,15-,16-,17+,18-,20+;/m0./s1

IUPAC

sodium (2S,3S,4S,5R,6R)-6-((5-carbamoyl-10,11-dihydro-5H-dibenzo[b,f]azepin-10-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylate

备用CAS登记号

144407-84-1-free acid

存储温度

-20°C

运输温度

Room Temperature

原产国

CANADA

产品形式

Neat