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

Structure Search

SMILES

COC1=CC=C(CC(C)(C)NC[C@H](O)C2=CC(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)=CC4=C2OCC(=O)N4)C=C1

InChI

InChIKey=GCORXAFQUNNFFV-NEPQWGTLSA-N

InChI=1S/C27H34N2O11/c1-27(2,10-13-4-6-14(37-3)7-5-13)28-11-18(30)16-8-15(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,6S)-3,4,5-TRIHYDROXY-6-((8-((1R)-1-HYDROXY-2-((2-(4-METHOXYPHENYL)-1,1-DIMETHYL-ETHYL)AMINO)ETHYL)-3-OXO-4H-1,4-BENZOXAZIN-6-YL)OXY)TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Systematic Name

English

OLODATEROL METABOLITE M565(1)

Common Name

English

CD992

Common Name

English

Code System Code Type Description

FDA UNII

NC8KNH6SJC

Created by admin on Sat Dec 16 15:10:44 GMT 2023 , Edited by admin on Sat Dec 16 15:10:44 GMT 2023