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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H38ClN3O11
Molecular Weight 604.046
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

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

SMILES

CO[C@H]1CN(CCCCCC(O)=O)CC[C@H]1NC(=O)C2=C(OC)C=C(N[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C(Cl)=C2

InChI

InChIKey=VEULWNAHMVTQGQ-MVHDTPLISA-N
InChI=1S/C26H38ClN3O11/c1-39-17-11-16(29-25-22(35)20(33)21(34)23(41-25)26(37)38)14(27)10-13(17)24(36)28-15-7-9-30(12-18(15)40-2)8-5-3-4-6-19(31)32/h10-11,15,18,20-23,25,29,33-35H,3-9,12H2,1-2H3,(H,28,36)(H,31,32)(H,37,38)/t15-,18+,20+,21+,22-,23+,25-/m1/s1

HIDE SMILES / InChI

Molecular Formula C26H38ClN3O11
Molecular Weight 604.046
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 21:15:26 UTC 2023
Edited
by admin
on Thu Jul 06 21:15:26 UTC 2023
Record UNII
OP5227X5ZU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(2S,3S,4S,5R,6R)-6-(2-CHLORO-4-(((3S,4R)-1-(6-HYDROXY-6-OXO-HEXYL)-3-METHOXY-4-PIPERIDYL)CARBAMOYL)-5-METHOXY-ANILINO)-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID
Systematic Name English
ATI-7500 GLUCURONIDE
Common Name English
NARONAPRIDE METABOLITE M12
Common Name English
Code System Code Type Description
FDA UNII
OP5227X5ZU
Created by admin on Thu Jul 06 21:15:26 UTC 2023 , Edited by admin on Thu Jul 06 21:15:26 UTC 2023
PRIMARY
PUBCHEM
146019627
Created by admin on Thu Jul 06 21:15:26 UTC 2023 , Edited by admin on Thu Jul 06 21:15:26 UTC 2023
PRIMARY
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