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15105-92-7

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Basic Information
CAS No.: 15105-92-7
Name: Rifamycin SV
Molecular Structure:
Molecular Structure of 15105-92-7 (Rifamycin SV)
Formula: C37H47NO12•Na
Molecular Weight: 720.84
Synonyms: Nsc133100
Density: 1.35g/cm3
Boiling Point: 862.1°Cat760mmHg
Flash Point: 475.2°C
Safety: Poison by intravenous route. Moderately toxic by ingestion, subcutaneous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of Na2O and NOx.
PSA: 201.31000
LogP: 4.89210
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Chemistry

Molecule structure of Sodium rifomycin SV (CAS NO.15105-92-7 ) :

Molecular Weight: 697.76858 g/mol
Molecular Formula: C37H47NO12 
Density: 1.35 g/cm3 
Boiling Point: 862.1 °C at 760 mmHg
Flash Point: 475.2 °C
Index of Refraction: 1.63
Molar Refractivity: 183.18 cm3
Molar Volume: 514.2 cm3
Polarizability: 72.61×10-24 cm3
Surface Tension: 66.7 dyne/cm
Enthalpy of Vaporization: 131.27 kJ/mol 
Vapour Pressure: 1.08E-31 mmHg at 25 °C
XLogP3-AA: 4.9
H-Bond Donor: 6
H-Bond Acceptor: 12
Rotatable Bond Count: 3
Tautomer Count: 113
Exact Mass: 697.309826
MonoIsotopic Mass: 697.309826
Topological Polar Surface Area: 201
Heavy Atom Count: 50 
Complexity: 1330 
Canonical SMILES: CC1C=CC=C(C(=O)NC2=CC(=C3C(=C2O)C(=C(C4=C3C(=O)C(O4)(OC=CC(C(C(C(C(C
(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)C
InChI: InChI=1S/C37H47NO12/c1-16-11-10-12-17(2)36(46)38-23-15-24(40)26-27(32(23)44)31(43)21(6)34-28(26)35(45)37(8,50-34)48-14-13-25(47-9)18(3)33(49-22(7)39)20(5)30(42)19(4)29(16)41/h10-16,18-20,25,29-30,33,40-44H,1-9H3,(H,38,46)
InChIKey of Sodium rifomycin SV (CAS NO.15105-92-7 ) : HJYYPODYNSCCOU-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

orl-rat LD50:2680 mg/kg

     FRPSAX    Farmaco, Edizione Scientifica. 16 (1961),235.
2.    

ipr-rat LD50:480 mg/kg

     FRPSAX    Farmaco, Edizione Scientifica. 16 (1961),235.
3.    

scu-rat LD50:1120 mg/kg

     FRPSAX    Farmaco, Edizione Scientifica. 16 (1961),235.
4.    

orl-mus LD50:2120 mg/kg

     FRPSAX    Farmaco, Edizione Scientifica. 16 (1961),235.
5.    

ipr-mus LD50:625 mg/kg

     FRPSAX    Farmaco, Edizione Scientifica. 16 (1961),235.
6.    

scu-mus LD50:1080 mg/kg

     FRPSAX    Farmaco, Edizione Scientifica. 16 (1961),235.
7.    

ivn-mus LD50:550 mg/kg

     FRPSAX    Farmaco, Edizione Scientifica. 16 (1961),235.
8.    

ivn-dog LD50:350 mg/kg

     FRPSAX    Farmaco, Edizione Scientifica. 16 (1961),235.

Safety Profile

Poison by intravenous route. Moderately toxic by ingestion, subcutaneous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of Na2O and NOx.

Specification

 Sodium rifomycin SV (CAS NO.15105-92-7 ) is also called Monosodium rifamycin SV ; NSC 133100 ; Rifamycin ; Rifamycin SV ; Rifamycin sodium salt ; Rifocin ; 2,7-(Epoxypentadeca(1,11,13)trienimino)naphtho(2,1-b)furan-1,11(2H)-dione, 5,6,9,17,19,21-hexahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-, 21-acetate, monosodium salt (8CI) ; 2,7-(Epoxypentadeca(1,11,13)trienimino)naphtho(2,1-b)furan-1,11(2H)-dione, 5,6,9,17,19,21-hexahydroxy-23-methoxy-
2,4,12,16,18,20,22-heptamethyl-, 21-acetate, sodium ; Rifamycin, monosodium salt (9CI) .