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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=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

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 Sat Dec 16 15:10:44 GMT 2023
Edited
by admin
on Sat Dec 16 15:10:44 GMT 2023
Record UNII
NC8KNH6SJC
Record Status Validated (UNII)
Record Version
  • Download
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
PRIMARY
PUBCHEM
156613750
Created by admin on Sat Dec 16 15:10:44 GMT 2023 , Edited by admin on Sat Dec 16 15:10:44 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE