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39472-31-6

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Basic Information
CAS No.: 39472-31-6
Name: Carubicin
Molecular Structure:
Molecular Structure of 39472-31-6 (Carubicin)
Formula: C26H27NO10
Molecular Weight: 513.4933
Synonyms: Carminomycin;CARMINOMYCIN,CARUBICIN;
Density: 1.63g/cm3
Melting Point: 191-192°C
Boiling Point: 750.6°Cat760mmHg
Flash Point: 407.7°C
Safety: Poison by ingestion, intravenous, intraperitoneal, and subcutaneous routes. Human systemic effects by intravenous route: anorexia, hallucinations and distorted perceptions, thrombosis, nausea or vomiting, fatty liver degeneration, impaired liver function, endocrine changes, and leukopenia (reduced white blood cell count). An experimental teratogen. Experimental reproductive effects. Mutation data reported. When heated to decomposition it emits acrid smoke and fumes.
PSA: 196.84000
LogP: 1.42620
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Chemistry

IUPAC:  (7S,9S)-9-Acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
 Karminomycin with CAS NO.of  39472-31-6 is also called for Carubicin ; CCRIS 961 ; Carminomycin ; STOCK1N-41435 ; AIDS-166741 ; CID443831 ; NCGC00159344-02 ; C12432  ; O-Demethyldaunomycin  and so on.
Molecular Weight: 513.49
Molecular Formula: C26H27NO10
ACD/LogP: 3.54  
ACD/LogD (pH 5.5): 0.78 
ACD/LogD (pH 7.4): 1.11 
ACD/BCF (pH 5.5): 1 
ACD/BCF (pH 7.4): 1.08 
ACD/KOC (pH 5.5): 3.49 
ACD/KOC (pH 7.4): 7.49 
H bond acceptors: 11 
H bond donors: 7 
Freely Rotating Bonds: 9
Heavy Atom Count: 37
Formal Charge: 0
Complexity: 944
Isotope Atom Count: 0
Defined Atom StereoCenter Count: 6
Undefined Atom StereoCenter Count: 0
Defined Bond StereoCenter Count: 0
Undefined Bond StereoCenter Count: 0
Covalently-Bonded Unit Count: 1 
Index of Refraction: 1.726 
Molar Refractivity: 125.14 cm3 
Molar Volume: 314.6 cm3 
Surface Tension: 99.8 dyne/cm 
Density: 1.63 g/cm3 
Flash Point: 407.7°C
Enthalpy of  Vaporization: 114.8 kJ/mol 
Boiling Point: 750.6°C at 760 mmHg
Vapour Pressure: 1.14E-23 mmHg at 25°C 
The molecular structure of  Karminomycin with CAS NO.of  39472-31-6:

Uses

 Karminomycin (CAS NO.39472-31-6) is used as antineoplastic agent.

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 oral 2700ug/kg (2.7mg/kg)   Cancer Treatment Reports. Vol. 63, Pg. 899, 1979.
dog LDLo intravenous 600ug/kg (0.6mg/kg)   Cancer Treatment Reports. Vol. 63, Pg. 899, 1979.
human TDLo intravenous 12mg/kg/5D (12mg/kg) BEHAVIORAL: ANOREXIA (HUMAN

GASTROINTESTINAL: NAUSEA OR VOMITING

BLOOD: LEUKOPENIA		 Cancer Treatment Reports. Vol. 61, Pg. 1705, 1977.
mammal (species unspecified) LD50 intraperitoneal 1300ug/kg (1.3mg/kg)   Antibiotiki. Vol. 29, Pg. 748, 1984.
man TDLo intravenous 1071ug/kg/17D (1.071mg/kg) BEHAVIORAL: "HALLUCINATIONS, DISTORTED PERCEPTIONS"

VASCULAR: THROMBOSIS DISTANT FROM INJECTION SITE

GASTROINTESTINAL: NAUSEA OR VOMITING		 Voprosy Onkologii. Problems of Oncology. For English translation, see PONCAU. Vol. 25(2), Pg. 63, 1979.
monkey LD50 oral 288mg/kg (288mg/kg) BEHAVIORAL: FOOD INTAKE (ANIMAL)

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

GASTROINTESTINAL: NAUSEA OR VOMITING		 Drug and Chemical Toxicology. Vol. 4, Pg. 383, 1981.
mouse LD50 intraperitoneal 960ug/kg (0.96mg/kg)   Antibiotiki. Vol. 29, Pg. 437, 1984.
mouse LD50 intravenous 3200ug/kg (3.2mg/kg)   Antibiotiki. Vol. 23, Pg. 1005, 1978.
mouse LD50 oral 7300ug/kg (7.3mg/kg)   Cancer Treatment Reports. Vol. 61, Pg. 1705, 1977.
mouse LD50 subcutaneous 2500ug/kg (2.5mg/kg)   Antibiotiki. Vol. 21, Pg. 1030, 1976.
rat LD50 intraperitoneal 1550ug/kg (1.55mg/kg) LIVER: FATTY LIVER DEGERATION

LIVER: LIVER FUNCTION TESTS IMPAIRED

ENDOCRINE: OTHER CHANGES		 Antibiotiki. Vol. 24, Pg. 218, 1979.
rat LD50 intravenous 1600ug/kg (1.6mg/kg)   Antibiotiki. Vol. 23, Pg. 1005, 1978.
rat LD50 oral 23mg/kg (23mg/kg)   Antibiotiki. Vol. 21, Pg. 904, 1976.
rat LD50 subcutaneous 4366ug/kg (4.366mg/kg)   Drug and Chemical Toxicology. Vol. 4, Pg. 383, 1981.

Safety Profile

Poison by ingestion, intravenous, intraperitoneal, and subcutaneous routes. Human systemic effects by intravenous route: anorexia, hallucinations and distorted perceptions, thrombosis, nausea or vomiting, fatty liver degeneration, impaired liver function, endocrine changes, and leukopenia (reduced white blood cell count). An experimental teratogen. Experimental reproductive effects. Mutation data reported. When heated to decomposition it emits acrid smoke and fumes.