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67-04-9

Basic Information
CAS No.: 67-04-9
Name: SYNEPHRINE TARTRATE
Molecular Structure:
Molecular Structure of 67-04-9 (SYNEPHRINE TARTRATE)
Formula: C22H32N2O10
Molecular Weight: 317.296
Synonyms: SYNEPHRINE TARTRATE (SALT);P-SYMPATOL TARTRATE;OXEDRINE TARTRATE;P-HYDROXYPHENYLMETHYLAMINOETHANOL TARTRATE;SYNEPHRINE L-TARTRATE;SYNEPHRINETARTRATE(OXEDRINE);Corvasymton;
EINECS: 200-642-3
Boiling Point: 341.1oC at 760 mmHg
Flash Point: 163.4oC
PSA: 167.55000
LogP: -1.08670
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Chemistry

Product Name: Synephrine tartrate (CAS NO.67-04-9)

MF: C22H32N2O10
MW: 484.5
EINECS: 200-642-3
Flash Point: 163.4 °C
Enthalpy of Vaporization: 61.71 kJ/mol 
Boiling Point: 341.1 °C at 760 mmHg
Vapour Pressure: 3.18E-05 mmHg at 25°C 
H-Bond Donor: 10
H-Bond Acceptor: 12
Structure Descriptors of Synephrine tartrate (CAS NO.67-04-9):
  IUPAC Name: (2R,3R)-2,3-dihydroxybutanedioic acid;4-[1-hydroxy-2-(methylamino)ethyl]phenol 
  Canonical SMILES: CNCC(C1=CC=C(C=C1)O)O.CNCC(C1=CC=C(C=C1)O)O.C(C(C(=O)O)O)(C(=O)O)O
  Isomeric SMILES: CNCC(C1=CC=C(C=C1)O)O.CNCC(C1=CC=C(C=C1)O)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
  InChI: InChI=1S/2C9H13NO2.C4H6O6/c2*1-10-6-9(12)7-2-4-8(11)5-3-7;5-1(3(7)8)2(6)4(9)10/h2*2-5,9-12H,6H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t;;1-,2-/m..1/s1
  InChIKey: KZZBAIXGUQOHKI-CEAXSRTFSA-N
Classification Code: Drug / Therapeutic Agent;  Reproductive Effect

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 2gm/kg (2000mg/kg)   Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 237, Pg. 171, 1959.
mouse LDLo subcutaneous 3200mg/kg (3200mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 166, Pg. 437, 1932.
rat LD50 intraduodenal 3050mg/kg (3050mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 180, Pg. 155, 1969.
rat LD50 oral 4450mg/kg (4450mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 180, Pg. 155, 1969.
rat LD50 subcutaneous 2730mg/kg (2730mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 180, Pg. 155, 1969.

Safety Profile

Moderately toxic by intraperitoneal, subcutaneous, and intraduodenal routes. Mildly toxic by ingestion. An experimental teratogen. When heated to decomposition it emits toxic fumes of NOx.

Specification

 Synephrine tartrate , its CAS NO. is 67-04-9, the synonyms are Benzyl alcohol, p-hydroxy-alpha-((methylamino)methyl)-, tartrate ; Bis(RS)-4-hydroxy-alpha-(methylaminomethyl)benzylalkohol)-(RR)-tartrat ; Cardiodinamin ; DL-p-Synephrine .