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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

SMILES

COC1=CC=C(CC(C)(C)NC[C@H](O)C2=C3OCC(=O)NC3=CC(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)=C2)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

Molecular Formula C27H34N2O11
Molecular Weight 562.5657
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 04:33:17 GMT 2025
Edited
by admin
on Wed Apr 02 04:33:17 GMT 2025
Record UNII
NC8KNH6SJC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CD992
Preferred Name English
(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
Code System Code Type Description
FDA UNII
NC8KNH6SJC
Created by admin on Wed Apr 02 04:33:17 GMT 2025 , Edited by admin on Wed Apr 02 04:33:17 GMT 2025
PRIMARY
PUBCHEM
156613750
Created by admin on Wed Apr 02 04:33:17 GMT 2025 , Edited by admin on Wed Apr 02 04:33:17 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> METABOLITE