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23315-05-1

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Basic Information
CAS No.: 23315-05-1
Name: ELAIOMYCIN
Article Data: 3
Molecular Structure:
Molecular Structure of 23315-05-1 (ELAIOMYCIN)
Formula: C13H26 N2 O3
Molecular Weight: 258.361
Synonyms: 2-Butanol,4-methoxy-3-(1-octenyl-ONN-azoxy)-, (E,Z)-(2S,3S)- (8CI); 2-Butanol, 4-methoxy-3-(1-octenyl-ONN-azoxy)-,[S-[R*,R*-(E,Z)]]-; 2-Butanol, 4-methoxy-3-[[N(E),1Z]-1-octenyl-ONN-azoxy]-,(2S,3S)- (9CI); Elaiomycin (6CI,7CI); NSC 88205
Density: 1g/cm3
Boiling Point: 385.3°Cat760mmHg
Flash Point: 186.8°C
Safety: Poison by intravenous and subcutaneous routes. Questionable carcinogen with experimental tumorigenic data. Causes tumors of the brain. When heated to decomposition it emits toxic fumes of NOx.
PSA: 70.57000
LogP: 3.35200
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Chemistry

Empirical Formula of Elaiomycin (CAS NO.23315-05-1): C13H26N2O3
Molecular Weight: 258.3571 g/mol
Index of Refraction: 1.474
Density: 1 g/cm3
Flash Point: 186.8 °C
Enthalpy of Vaporization: 73.34 kJ/mol
Boiling Point: 385.3 °C at 760 mmHg
Vapour Pressure: 1.59E-07 mmHg at 25 °C
Structure of Elaiomycin (CAS NO.23315-05-1):
                      
IUPAC Name: (3-Hydroxy-1-methoxybutan-2-yl)imino-oct-1-enyl-oxidoazanium
Canonical SMILES: CCCCCCC=C[N+](=NC(COC)C(C)O)[O-]
InChI: InChI=1S/C13H26N2O3/c1-4-5-6-7-8-9-10-15(17)14-13(11-18-3)12(2)16/h9-10,12-13,16H,4-8,11H2,1-3H3
InChIKey: BCPWSYQGYBTINM-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

scu-mus LD50:63 mg/kg

     ANTCAO    Antibiotics and Chemotherapy. 4 (1954),338.
2.    

ivn-mus LD50:44 mg/kg

     ANTCAO    Antibiotics and Chemotherapy. 4 (1954),338.

Safety Profile

Poison by intravenous and subcutaneous routes. Questionable carcinogen with experimental tumorigenic data. Causes tumors of the brain. When heated to decomposition Elaiomycin (CAS NO.23315-05-1) emits toxic fumes of NOx.

Specification

 Elaiomycin , its cas register number is 23315-05-1. It also can be called 2-Butanol, 4-methoxy-3-(1-octenyl-ONN-azoxy)-, (E,Z)-(2S,3S)- ; 2-Butanol, 4-methoxy-3-(1-octenyl-ONN-azoxy)-, D-threo- ; and 2-Butanol, 4-methoxy-3-(1-octenyl-ONN-azoxy)-, (S-(R*,R*-(E,Z)))- (9CI) .