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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H29NO3
Molecular Weight 367.4821
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ADL-08-0011

SMILES

C[C@@]1([H])CN(CC[C@@]1(C)c2cccc(c2)O)C[C@]([H])(Cc3ccccc3)C(=O)O

InChI

InChIKey=KSBSLJKYJXTATP-WCAVRKLYSA-N
InChI=1S/C23H29NO3/c1-17-15-24(12-11-23(17,2)20-9-6-10-21(25)14-20)16-19(22(26)27)13-18-7-4-3-5-8-18/h3-10,14,17,19,25H,11-13,15-16H2,1-2H3,(H,26,27)/t17-,19-,23+/m0/s1

HIDE SMILES / InChI

Molecular Formula C23H29NO3
Molecular Weight 367.4821
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 09:25:16 UTC 2021
Edited
by admin
on Sat Jun 26 09:25:16 UTC 2021
Record UNII
3I1G16537O
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ADL-08-0011
Common Name English
ADL-08-0011, (+)-
Code English
1-PIPERIDINEPROPANOIC ACID, 4-(3-HYDROXYPHENYL)-3,4-DIMETHYL-.ALPHA.-(PHENYLMETHYL)-, (3R-(1(S*),3.ALPHA.,4.ALPHA.))-
Systematic Name English
AMIDE HYDROLYSIS METABOLITE OF ALVIMOPAN
Common Name English
1-PIPERIDINEPROPANOIC ACID, 4-(3-HYDROXYPHENYL)-3,4-DIMETHYL-.ALPHA.-(PHENYLMETHYL)-, (.ALPHA.S,3R,4R)-
Systematic Name English
ALVIMOPAN METABOLITE H3
Common Name English
ADL 08-0011
Common Name English
Code System Code Type Description
EPA CompTox
156130-41-5
Created by admin on Sat Jun 26 09:25:16 UTC 2021 , Edited by admin on Sat Jun 26 09:25:16 UTC 2021
PRIMARY
PUBCHEM
9951118
Created by admin on Sat Jun 26 09:25:16 UTC 2021 , Edited by admin on Sat Jun 26 09:25:16 UTC 2021
PRIMARY
FDA UNII
3I1G16537O
Created by admin on Sat Jun 26 09:25:16 UTC 2021 , Edited by admin on Sat Jun 26 09:25:16 UTC 2021
PRIMARY
CAS
156130-41-5
Created by admin on Sat Jun 26 09:25:16 UTC 2021 , Edited by admin on Sat Jun 26 09:25:16 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
URINE