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Details

Stereochemistry ABSOLUTE
Molecular Formula C33H49ClN4O11
Molecular Weight 713.215
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (2S,3S,4S,5R,6R)-6-(2-CHLORO-5-METHOXY-4-(((3S,4R)-3-METHOXY-1-(6-OXO-6-((3R)-QUINUCLIDIN-3-YL)OXY-HEXYL)-4-PIPERIDYL)CARBAMOYL)ANILINO)-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

SMILES

CO[C@H]1CN(CCCCCC(=O)O[C@H]2CN3CCC2CC3)CC[C@H]1NC(=O)C4=C(OC)C=C(N[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O)C(Cl)=C4

InChI

InChIKey=KXHQDCJDGQQJLT-ZBZCOCHJSA-N
InChI=1S/C33H49ClN4O11/c1-46-23-15-22(36-32-29(42)27(40)28(41)30(49-32)33(44)45)20(34)14-19(23)31(43)35-21-9-13-37(17-25(21)47-2)10-5-3-4-6-26(39)48-24-16-38-11-7-18(24)8-12-38/h14-15,18,21,24-25,27-30,32,36,40-42H,3-13,16-17H2,1-2H3,(H,35,43)(H,44,45)/t21-,24+,25+,27+,28+,29-,30+,32-/m1/s1

HIDE SMILES / InChI

Molecular Formula C33H49ClN4O11
Molecular Weight 713.215
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 21:16:33 UTC 2023
Edited
by admin
on Thu Jul 06 21:16:33 UTC 2023
Record UNII
LEU25W9UQP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(2S,3S,4S,5R,6R)-6-(2-CHLORO-5-METHOXY-4-(((3S,4R)-3-METHOXY-1-(6-OXO-6-((3R)-QUINUCLIDIN-3-YL)OXY-HEXYL)-4-PIPERIDYL)CARBAMOYL)ANILINO)-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID
Systematic Name English
NARONAPRIDE METABOLITE M11
Common Name English
Code System Code Type Description
PUBCHEM
156596813
Created by admin on Thu Jul 06 21:16:33 UTC 2023 , Edited by admin on Thu Jul 06 21:16:33 UTC 2023
PRIMARY
FDA UNII
LEU25W9UQP
Created by admin on Thu Jul 06 21:16:33 UTC 2023 , Edited by admin on Thu Jul 06 21:16:33 UTC 2023
PRIMARY
Related Record Type Details
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