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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H30ClN3O5
Molecular Weight 427.922
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (3S,4R)-4-((4-AMINO-5-CHLORO-2-METHOXYBENZOYL)AMINO)-3-METHOXY-1-PIPERIDINEHEXANOIC ACID

SMILES

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

InChI

InChIKey=XXBYCDRFSNWVDA-AEFFLSMTSA-N
InChI=1S/C20H30ClN3O5/c1-28-17-11-15(22)14(21)10-13(17)20(27)23-16-7-9-24(12-18(16)29-2)8-5-3-4-6-19(25)26/h10-11,16,18H,3-9,12,22H2,1-2H3,(H,23,27)(H,25,26)/t16-,18+/m1/s1

HIDE SMILES / InChI

Molecular Formula C20H30ClN3O5
Molecular Weight 427.922
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 21:13:41 UTC 2023
Edited
by admin
on Thu Jul 06 21:13:41 UTC 2023
Record UNII
4NFH4K764S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(3S,4R)-4-((4-AMINO-5-CHLORO-2-METHOXYBENZOYL)AMINO)-3-METHOXY-1-PIPERIDINEHEXANOIC ACID
Systematic Name English
1-PIPERIDINEHEXANOIC ACID, 4-((4-AMINO-5-CHLORO-2-METHOXYBENZOYL)AMINO)-3-METHOXY-, (3S,4R)-
Systematic Name English
NARONAPRIDE METABOLITE M2
Common Name English
ATI-7500
Common Name English
ATI 7500
Common Name English
Code System Code Type Description
PUBCHEM
11475866
Created by admin on Thu Jul 06 21:13:41 UTC 2023 , Edited by admin on Thu Jul 06 21:13:41 UTC 2023
PRIMARY
FDA UNII
4NFH4K764S
Created by admin on Thu Jul 06 21:13:41 UTC 2023 , Edited by admin on Thu Jul 06 21:13:41 UTC 2023
PRIMARY
CAS
860295-97-2
Created by admin on Thu Jul 06 21:13:41 UTC 2023 , Edited by admin on Thu Jul 06 21:13:41 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
MINOR
URINE
PARENT -> METABOLITE
PLASMA
PARENT -> METABOLITE
MAJOR
FECAL
Name Property Type Amount Referenced Substance Defining Parameters References
Tmax PHARMACOKINETIC