Name: Name:1-Piperidinepropanoic acid, 4-(3-hydroxyphenyl)-3,4-dimethyl-α-(phenylmethyl)-, (αS,3R,4R)-
Brand: Angene
SKU: AG001OIT
Rating: 90 (10 reviews)

1-Piperidinepropanoic acid, 4-(3-hydroxyphenyl)-3,4-dimethyl-α-(phenylmethyl)-, (αS,3R,4R)-

CAS No.:

156130-41-5

Catalog Number:

AG001OIT

Molecular Formula:

C23H29NO3

Molecular Weight:

367.4813

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Product Description

Catalog Number:

AG001OIT

Chemical Name:

1-Piperidinepropanoic acid, 4-(3-hydroxyphenyl)-3,4-dimethyl-α-(phenylmethyl)-, (αS,3R,4R)-

CAS Number:

156130-41-5

Molecular Formula:

C23H29NO3

Molecular Weight:

367.4813

MDL Number:

MFCD23135379

IUPAC Name:

(2S)-2-benzyl-3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanoic acid

InChI:

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

InChI Key:

KSBSLJKYJXTATP-WCAVRKLYSA-N

SMILES:

Oc1cccc(c1)[C@]1(C)CCN(C[C@@H]1C)C[C@@H](C(=O)O)Cc1ccccc1

UNII:

3I1G16537O

Properties

Complexity:

490

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

367.215g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

367.489g/mol

Monoisotopic Mass:

367.215g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

60.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3

Literature

Title	Journal
The in vitro pharmacology of the peripherally restricted opioid receptor antagonists, alvimopan, ADL 08-0011 and methylnaltrexone.	Naunyn-Schmiedeberg's archives of pharmacology 20070501

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