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Disomer maleate
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Name

Disomer maleate

 EINECS N/A
CAS No. 2391-03-9 Density g/cm3
PSA 90.73000 LogP 3.63950
Solubility N/A Melting Point 132-134℃
Formula C16H19BrN2•C4H4O4 Boiling Point 403°Cat760mmHg
Molecular Weight 435.36 Flash Point 197.5°C
Transport Information N/A Appearance N/A
Safety Poison by ingestion, intramuscular and intraperitoneal routes. When heated to decomposition it emits toxic fumes of Br− and NOx. Risk Codes 25
Molecular Structure Molecular Structure of 2391-03-9 (DEXBROMPHENIRAMINE MALEATE) Hazard Symbols
Synonyms

(+)-2-(p-bromo-alpha-(2-(dimethylamino)ethyl)benzyl)pyridinemaleate;d-brompheniraminemaleate;disomermaleate;gamma-(4-bromophenyl)-n,n-dimethyl-2-pyridinepropanamin(s)-2-pyridinepropanamin(z)-2-buten;pyridine,2-(p-bromo-alpha-(2-(dimethylamino)ethyl)benzyl)-,maleate(1:1),(s);(+)-BROMPHENIRAMINE MALEATE SALT;DEXBROMPHENIRAMINE MALEATE;DEXBROMPHENIRAMINE MALEATE SALT

Article Data 2

Disomer maleate Chemical Properties

Molecule structure of Disomer maleate (CAS NO.2391-03-9):

IUPAC Name: (3S)-3-(4-Bromophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine; (Z)-but-2-enedioic acid 
Molecular Weight: 435.31162 g/mol
Molecular Formula: C20H23BrN2O4
Boiling Point: 601.1 °C at 760 mmHg
Flash Point: 317.3 °C
Enthalpy of Vaporization: 94.07 kJ/mol
Vapour Pressure: 2.67E-15 mmHg at 25 °C 
H-Bond Donor: 2
H-Bond Acceptor: 6
Rotatable Bond Count: 7
Tautomer Count: 2
Exact Mass: 434.08412
MonoIsotopic Mass: 434.08412
Topological Polar Surface Area: 90.7
Heavy Atom Count: 27
Complexity: 368
Defined Atom StereoCenter Count: 1
Defined Bond StereoCenter Count: 1
Covalently-Bonded Unit Count: 2 
Canonical SMILES: CN(C)CCC(C1=CC=C(C=C1)Br)C2=CC=CC=N2.C(=CC(=O)O)C(=O)O
Isomeric SMILES: CN(C)CC[C@@H](C1=CC=C(C=C1)Br)C2=CC=CC=N2.C(=C\C(=O)O)\C(=O)O
InChI: InChI=1S/C16H19BrN2.C4H4O4/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13;5-3(6)1-2-4(7)8/h3-9,11,15H,10,12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t15-;/m0./s1
InChIKey: SRGKFVAASLQVBO-DASCVMRKSA-N
EINECS of Disomer maleate (CAS NO.2391-03-9): 219-236-2

Disomer maleate Toxicity Data With Reference

1.    

orl-rat LD50:191 mg/kg

     CMTRAG    Chemotherapia. 3 (1961),120.
2.    

ipr-rat LD50:104 mg/kg

     CMTRAG    Chemotherapia. 3 (1961),120.
3.    

orl-mus LD50:176 mg/kg

     CMTRAG    Chemotherapia. 3 (1961),120.
4.    

ipr-mus LD50:106 mg/kg

     CMTRAG    Chemotherapia. 3 (1961),120.
5.    

ivn-mus LD50:25 mg/kg

     CMTRAG    Chemotherapia. 3 (1961),120.
6.    

orl-gpg LD50:259 mg/kg

     CMTRAG    Chemotherapia. 3 (1961),120.

Disomer maleate Safety Profile

Hazard Codes: ToxicT
Risk Statements: 25 
R25 :Toxic if swallowed.
Safety Statements: 22-36/37/39-45 
S22:Do not breathe dust. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection. 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN 2811 6.1/PG 3
WGK Germany: 3
RTECS: US4026200
Poison by ingestion, intramuscular and intraperitoneal routes. When heated to decomposition it emits toxic fumes of Br− and NOx.

Disomer maleate Specification

 Disomer maleate (CAS NO.2391-03-9) is also named as Brompheniramine d-form maleate ; Dexbrompheniramine maleate ; (+)-2-(p-Bromo-alpha-(2-(dimethylamino)ethyl)benzyl)pyridine maleate ; (+)-2-(p-Bromo-alpha-(2-(dimethylamino)ethyl)benzyl)pyridine maleate (1:1) ; 2-Pyridinepropanamine, gamma-(4-bromophenyl)-N,N-dimethyl-, (S)-, (Z)-2-butenedioate (1:1) ; Dexbrompheniramine maleate ; Disomer ; UNII-BPA9UT29BS ; d-Brompheniramine maleate .

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