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Basic Information
CAS No.: 56605-16-4
Name: Spiromustine
Article Data: 1
Molecular Structure:
Molecular Structure of 56605-16-4 (Spiromustine)
Formula: C14H23 Cl2 N3 O2
Molecular Weight: 336.262
Synonyms: 3-[2-[Bis(2-chloroethyl)amino]ethyl]-5,5-pentamethylenehydantoin;NCI 172112; NSC 172112; NSC 268497; SHM; Spirohydantoin mustard; Spiromustine
Density: 1.29g/cm3
Melting Point: 125.5°C
Boiling Point: °Cat760mmHg
Flash Point: °C
Safety: Poison by intravenous and intraperitoneal routes. Mutation data reported. When heated to decomposition it emits toxic fumes of Cl− and NOx.
PSA: 52.65000
LogP: 2.28740
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Chemistry

IUPAC  Name: 3-[2-[Bis(2-chloroethyl)amino]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
Molecular Formula: C14H23Cl2N3O2
Molecular Weight: 336.30
Freely Rotating Bonds: 7
Polar Surface Area: 43.86 Å2
Index of Refraction: 1.56
Molar Refractivity: 84.1 cm3
Molar Volume: 260 cm3
Polarizability: 33.34 ×10-24 cm3
Surface Tension: 51.6 dyne/cm
Density: 1.29 g/cm3 
The Cas Register Number of Spiromustine is 56605-16-4.The chemical synonyms of Spiromustine (CAS NO.56605-16-4) are 1, 3-Diazaspiro[4.5]decane-2,4-dione, 3-[2-[bis (2-chloroethyl)amino]ethyl]- ; 3-(2-(Bis(2-chloroethyl)amino)ethyl)-5,5-pentamethylenehydantoin ; 3-{2-[Bis-(2-chloro-ethyl)-amino]-ethyl}-1,3-diaza-spiro[4.5]decane-2,4-dione .The molecular structure of Spiromustine (CAS NO.56605-16-4) is.

Uses

 Spiromustine (CAS NO.56605-16-4) is used as pharmaceutical intermediate.

Toxicity Data With Reference

1.    

mma-sat 50 µg/plate

     BCPCA6    Biochemical Pharmacology. 32 (1983),523.
2.    

bfa-mus/sat 60 mg/kg

     BCPCA6    Biochemical Pharmacology. 32 (1983),523.
3.    

ivn-rat LD50:9100 µg/kg

     NTIS**    National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) PB83-149518 .
4.    

ipr-mus LD50:33,244 µg/kg

     NCISP*    National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program, Bethesda, MD 20205 JAN86 .
5.    

ivn-mus LD50:48,280 µg/kg

     NTIS**    National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) PB83-148395 .
6.    

ivn-dog LDLo:3750 µg/kg

     NTIS**    National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) PB83-149518 .

Safety Profile

Poison by intravenous and intraperitoneal routes. Mutation data reported. When heated to decomposition it emits toxic fumes of Cl− and NOx.