CAS 182507-20-6 | β-D-Glucopyranosiduronic acid, 2-[4-(β-D-glucopyranuronosyloxy)phenyl]-3-[4-[2-(1-piperidinyl)ethoxy]benzoyl]benzo[b]thien-6-yl | CAS Number 182507-20-6

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182507-20-6 | β-D-Glucopyranosiduronic acid, 2-[4-(β-D-glucopyranuronosyloxy)phenyl]-3-[4-[2-(1-piperidinyl)ethoxy]benzoyl]benzo[b]thien-6-yl

CAS No: 182507-20-6 Catalog No: AG0023Y7 MDL No:

Product Description

Catalog Number:

AG0023Y7

Chemical Name:

β-D-Glucopyranosiduronic acid, 2-[4-(β-D-glucopyranuronosyloxy)phenyl]-3-[4-[2-(1-piperidinyl)ethoxy]benzoyl]benzo[b]thien-6-yl

CAS Number:

182507-20-6

Molecular Formula:

C40H43NO16S

Molecular Weight:

825.8315

IUPAC Name:

(3R,4R,5R,6R)-6-[4-[6-[(2S,3S,4S,5S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-2-yl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

InChI:

InChI=1S/C40H43NO16S/c42-27(19-4-8-21(9-5-19)53-17-16-41-14-2-1-3-15-41)26-24-13-12-23(55-40-33(48)29(44)31(46)35(57-40)38(51)52)18-25(24)58-36(26)20-6-10-22(11-7-20)54-39-32(47)28(43)30(45)34(56-39)37(49)50/h4-13,18,28-35,39-40,43-48H,1-3,14-17H2,(H,49,50)(H,51,52)/t28-,29+,30-,31+,32-,33+,34?,35?,39+,40-/m1/s1

InChI Key:

PCIAOPAUTIPRHI-BPLPKISHSA-N

SMILES:

OC(=O)[C@H]1O[C@@H](Oc2ccc3c(c2)sc(c3C(=O)c2ccc(cc2)OCCN2CCCCC2)c2ccc(cc2)O[C@@H]2O[C@H](C(=O)O)[C@H]([C@@H]([C@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O