ADL-08-0011

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H29NO3
Molecular Weight	367.4813
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@H]1CN(C[C@H](CC2=CC=CC=C2)C(O)=O)CC[C@@]1(C)C3=CC=CC(O)=C3

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	367.4813
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 Dec 16 08:23:51 UTC 2023` Edited by `admin` on `Sat Dec 16 08:23:51 UTC 2023`
Record UNII	3I1G16537O
Record Status	`Validated (UNII)`
Record Version

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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

DTXSID30433261

Created by admin on Sat Dec 16 08:23:52 UTC 2023 , Edited by admin on Sat Dec 16 08:23:52 UTC 2023

PRIMARY

PUBCHEM

9951118

Created by admin on Sat Dec 16 08:23:52 UTC 2023 , Edited by admin on Sat Dec 16 08:23:52 UTC 2023

PRIMARY

FDA UNII

3I1G16537O

Created by admin on Sat Dec 16 08:23:52 UTC 2023 , Edited by admin on Sat Dec 16 08:23:52 UTC 2023

PRIMARY

CAS

156130-41-5

Created by admin on Sat Dec 16 08:23:52 UTC 2023 , Edited by admin on Sat Dec 16 08:23:52 UTC 2023

PRIMARY

Related Record Type Details


					Q153V49P3Z

ALVIMOPAN ANHYDROUS

PARENT -> METABOLITE

Qualification:

URINE

Amount: