Products for Research Use Only
RegisterLogin

Ent-alvimopan

CAT: 0926-GGA13044-02Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0926-GGA13044-02Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
156130-44-8
MDL Number
MFCD09838268
Smiles
CC1CN (CCC1 (C) C2=CC (=CC=C2) O) CC (CC3=CC=CC=C3) C (=O) NCC (=O) O
Molecular Formula
C25H32N2O4
Molecular Weight
424.5 g/mol
Controlled
No

Chemical Information

[[(R)-2-Benzyl-3-[(3S,4S)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propionyl]amino]acetic acid
CAS Number156130-44-8
PubChem CID101669948
IUPAC Name2-[[(2R)-2-benzyl-3-[(3S,4S)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanoyl]amino]acetic acid
Molecular FormulaC25H32N2O4
Molecular Weight424.5
XLogP1.7
Topological Polar Surface Area89.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count31
Formal Charge0
Complexity606
SMILES
C[C@@H]1CN(CC[C@]1(C)C2=CC(=CC=C2)O)C[C@@H](CC3=CC=CC=C3)C(=O)NCC(=O)O
InChI
InChI=1S/C25H32N2O4/c1-18-16-27(12-11-25(18,2)21-9-6-10-22(28)14-21)17-20(24(31)26-15-23(29)30)13-19-7-4-3-5-8-19/h3-10,14,18,20,28H,11-13,15-17H2,1-2H3,(H,26,31)(H,29,30)/t18-,20-,25+/m1/s1
InChIKey
UPNUIXSCZBYVBB-BSWQBHCVSA-N
Chemical Structure
2D Structure
2D structure of [[(R)-2-Benzyl-3-[(3S,4S)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propionyl]amino]acetic acid
CAS: 156130-44-8
CID: 101669948
Formula: C25H32N2O4
MW: 424.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight424.5
XLogP31.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass424.23620751
Monoisotopic Mass424.23620751
Topological Polar Surface Area89.9 Ų
Heavy Atom Count31
Formal Charge0
Complexity606
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
FA17336-01Alvimopan
SYB61662-01Alvimopan-d5
KBB84891-01N-Ethyl acetate alvimopan
BA164152Alvimopan - Bio-X TM
FE22696-01Ent-tadalafil
NE16540-01Ent-abacavir
FE22679Ent-aprepitant
NRB91558-01Ent-Niraparib
NE22686-01Ent-Lamivudine
NE16541-01Ent-idoxuridine

Alternative Products

CatalogName
448247-01Ent-Alvimopan
259087-01Alvimopan

Popular Products