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VPC 23153

CAT: 0931-T68698-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T68698-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
787582-98-3
Target
Others
Related Pathways
Others
Bioactivity
VPC 23153 is a sphingosine 1-phosphate 4 receptor agonist. This hygroscopic phospholipid causes contraction of pulmonary artries in rats.
Smiles
[C@@H](COP(=O)(O)O)(N)C=1NC=2C(N1)=CC=C(CCCCCCCC)C2
Molecular Formula
C17H28N3O4P
Molecular Weight
369.4
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(R)-2-Amino-2-(6-octyl-1H-benzo[d]imidazol-2-yl)ethyl dihydrogen phosphate
CAS Number787582-98-3
PubChem CID44394498
IUPAC Name[(2R)-2-amino-2-(6-octyl-1H-benzimidazol-2-yl)ethyl] dihydrogen phosphate
Molecular FormulaC17H28N3O4P
Molecular Weight369.4
XLogP0.4
Topological Polar Surface Area121
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Heavy Atom Count25
Formal Charge0
Complexity434
SMILES
CCCCCCCCC1=CC2=C(C=C1)N=C(N2)[C@H](COP(=O)(O)O)N
InChI
InChI=1S/C17H28N3O4P/c1-2-3-4-5-6-7-8-13-9-10-15-16(11-13)20-17(19-15)14(18)12-24-25(21,22)23/h9-11,14H,2-8,12,18H2,1H3,(H,19,20)(H2,21,22,23)/t14-/m0/s1
InChIKey
FZEKCWYSFVMPDZ-AWEZNQCLSA-N
Chemical Structure
2D Structure
2D structure of (R)-2-Amino-2-(6-octyl-1H-benzo[d]imidazol-2-yl)ethyl dihydrogen phosphate
CAS: 787582-98-3
CID: 44394498
Formula: C17H28N3O4P
MW: 369.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight369.4
XLogP30.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Exact Mass369.18174338
Monoisotopic Mass369.18174338
Topological Polar Surface Area121 Ų
Heavy Atom Count25
Formal Charge0
Complexity434
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
GTR19211258-01VPC 23153

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