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7234-08-4

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Basic Information
CAS No.: 7234-08-4
Name: (1S,2R)-2-(methylamino)-1-phenylpropyl dihydrogen phosphate
Molecular Structure:
Molecular Structure of 7234-08-4 ((1S,2R)-2-(methylamino)-1-phenylpropyl dihydrogen phosphate)
Formula: C10H16NO4P
Molecular Weight: 245.215
Density: 1.285g/cm3
Boiling Point: 422.5°C at 760 mmHg
Flash Point: 209.3°C
Safety: Moderately toxic by ingestion, intraperitoneal, subcutaneous and intravenous routes. When heated to decomposition it emits toxic fumes of POx and NOx. See also EPHEDRINE and ESTERS.
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  • d-EPHEDRINE PHOSPHATE (ESTER)

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    d-EPHEDRINE PHOSPHATE (ESTER)

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  • d-EPHEDRINE PHOSPHATE (ESTER)

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    d-EPHEDRINE PHOSPHATE (ESTER)

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Chemistry

Molecule structure of D-Ephedrine phosphate (ester) (CAS NO.7234-08-4):

IUPAC Name: [(1S,2R)-2-(Methylamino)-1-phenylpropyl] dihydrogen phosphate 
Molecular Weight: 245.212101 g/mol
Molecular Formula: C10H16NO4P 
Density: 1.285 g/cm3 
Boiling Point: 422.5 °C at 760 mmHg 
Flash Point: 209.3 °C
Index of Refraction: 1.545
Molar Refractivity: 60.31 cm3
Molar Volume: 190.7 cm3
Polarizability: 23.9×10-24 cm3
Surface Tension: 52.2 dyne/cm
Enthalpy of Vaporization: 71.33 kJ/mol
Vapour Pressure: 6.84E-08 mmHg at 25 °C
XLogP3: -2
H-Bond Donor: 3
H-Bond Acceptor: 5
Rotatable Bond Count: 5
Exact Mass: 245.081695
MonoIsotopic Mass: 245.081695
Topological Polar Surface Area: 78.8
Heavy Atom Count: 16
Complexity: 249
Defined Atom StereoCenter Count: 2
Canonical SMILES: CC(C(C1=CC=CC=C1)OP(=O)(O)O)NC
Isomeric SMILES: C[C@H]([C@H](C1=CC=CC=C1)OP(=O)(O)O)NC
InChI: InChI=1S/C10H16NO4P/c1-8(11-2)10(15-16(12,13)14)9-6-4-3-5-7-9/h3-8,10-11H,1-2H3,(H2,12,13,14)/t8-,10-/m1/s1
InChIKey: NHCPYBTZNTVGGP-PSASIEDQSA-N
Classification Code of D-Ephedrine phosphate (ester) (CAS NO.7234-08-4): Drug / Therapeutic Agent

Toxicity Data With Reference

1.    

orl-mus LD50:1800 mg/kg

     JMCMAR    Journal of Medicinal Chemistry. 9 (1966),966.
2.    

ipr-mus LD50:815 mg/kg

     JMCMAR    Journal of Medicinal Chemistry. 9 (1966),966.
3.    

scu-mus LD50:865 mg/kg

     JMCMAR    Journal of Medicinal Chemistry. 9 (1966),966.
4.    

ivn-mus LD50:815 mg/kg

     JMCMAR    Journal of Medicinal Chemistry. 9 (1966),966.

Safety Profile

Moderately toxic by ingestion, intraperitoneal, subcutaneous and intravenous routes. When heated to decomposition it emits toxic fumes of POx and NOx. See also EPHEDRINE and ESTERS.

Specification

 D-Ephedrine phosphate (ester) (CAS NO.7234-08-4) is also named as BRN 2812589 ; D-alpha-(1-(Methylamino)ethyl)benzyl phosphate ; Ephedrine, phosphate (ester), (+)- .