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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H22ClN3O5
Molecular Weight 371.816
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

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

SMILES

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

InChI

InChIKey=IMSPRMSINRRSAA-OCCSQVGLSA-N
InChI=1S/C16H22ClN3O5/c1-24-13-6-11(18)10(17)5-9(13)16(23)19-12-3-4-20(8-15(21)22)7-14(12)25-2/h5-6,12,14H,3-4,7-8,18H2,1-2H3,(H,19,23)(H,21,22)/t12-,14+/m1/s1

HIDE SMILES / InChI

Molecular Formula C16H22ClN3O5
Molecular Weight 371.816
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 21:13:30 UTC 2023
Edited
by admin
on Thu Jul 06 21:13:30 UTC 2023
Record UNII
YW3X9WSN6K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-PIPERIDINEACETIC ACID, 4-((4-AMINO-5-CHLORO-2-METHOXYBENZOYL)AMINO)-3-METHOXY-, (3S,4R)-
Systematic Name English
ATI-7100
Common Name English
NARONAPRIDE METABOLITE M3
Common Name English
Code System Code Type Description
PUBCHEM
15231240
Created by admin on Thu Jul 06 21:13:30 UTC 2023 , Edited by admin on Thu Jul 06 21:13:30 UTC 2023
PRIMARY
FDA UNII
YW3X9WSN6K
Created by admin on Thu Jul 06 21:13:30 UTC 2023 , Edited by admin on Thu Jul 06 21:13:30 UTC 2023
PRIMARY
CAS
1000027-42-8
Created by admin on Thu Jul 06 21:13:30 UTC 2023 , Edited by admin on Thu Jul 06 21:13:30 UTC 2023
PRIMARY
Related Record Type Details
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PLASMA
Name Property Type Amount Referenced Substance Defining Parameters References
Tmax PHARMACOKINETIC