(2S,3S,4S,5R)-3,4,5-TRIHYDROXY-6-((1R)-1-(6-HYDROXY-3-OXO-4H-1,4-BENZOXAZIN-8-YL)-2-((2-(4-METHOXYPHENYL)-1,1-DIMETHYL-ETHYL)AMINO)ETHOXY)TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H34N2O11
Molecular Weight	562.5657
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (2S,3S,4S,5R)-3,4,5-TRIHYDROXY-6-((1R)-1-(6-HYDROXY-3-OXO-4H-1,4-BENZOXAZIN-8-YL)-2-((2-(4-METHOXYPHENYL)-1,1-DIMETHYL-ETHYL)AMINO)ETHOXY)TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Structure Search

SMILES

[H][C@@]4(O[C@@H](CNC(C)(C)CC1=CC=C(OC)C=C1)C2=CC(O)=CC3=C2OCC(=O)N3)O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O

InChI

InChIKey=INZJAJMYCJWPDL-NEPQWGTLSA-N

InChI=1S/C27H34N2O11/c1-27(2,10-13-4-6-15(37-3)7-5-13)28-11-18(16-8-14(30)9-17-23(16)38-12-19(31)29-17)39-26-22(34)20(32)21(33)24(40-26)25(35)36/h4-9,18,20-22,24,26,28,30,32-34H,10-12H2,1-3H3,(H,29,31)(H,35,36)/t18-,20-,21-,22+,24-,26+/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

(2S,3S,4S,5R)-3,4,5-TRIHYDROXY-6-((1R)-1-(6-HYDROXY-3-OXO-4H-1,4-BENZOXAZIN-8-YL)-2-((2-(4-METHOXYPHENYL)-1,1-DIMETHYL-ETHYL)AMINO)ETHOXY)TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Systematic Name

English

OLODATEROL METABOLITE M565(2)

Common Name

English

Code System Code Type Description

FDA UNII

KKZ589W9XR

Created by admin on Sat Dec 16 19:00:23 GMT 2023 , Edited by admin on Sat Dec 16 19:00:23 GMT 2023

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PUBCHEM

156613620