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6192-29-6

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Basic Information
CAS No.: 6192-29-6
Name: penicillin BT
Molecular Structure:
Molecular Structure of 6192-29-6 (penicillin BT)
Formula: C14H22 N2 O4 S2
Molecular Weight: 346.472
Synonyms: 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid, 6-[2-(butylthio)acetamido]-3,3-dimethyl-7-oxo- (8CI);4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,6-[[(butylthio)acetyl]amino]-3,3-dimethyl-7-oxo-, (2S,5R,6R)- (9CI);4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(butylthio)acetyl]amino]-3,3-dimethyl-7-oxo-,[2S-(2a,5a,6b)]-; Penicillin BT
Density: 1.35g/cm3
Boiling Point: 624.3°C at 760 mmHg
Flash Point: 331.4°C
Safety: Poison by intracerebral and intraspinal routes. When heated to decomposition it emits very toxic fumes of NOx and SOx. See also MERCAPTANS and other penicillin entries.
PSA: 140.80000
LogP: 1.92960
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Chemistry

IUPAC Name: (2S,5R,6R)-6-[(2-Butylsulfanylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Molecular Formula: C14H22N2O4S2
Molecular Weight: 346.50g/mol
Freely Rotating Bonds: 7
Polar Surface Area: 117.52 ?2
Index of Refraction: 1.608
Molar Refractivity: 88.17 cm3
Molar Volume: 254.7 cm3
Polarizability: 34.95 ×10-24 cm3
Surface Tension: 61.6 dyne/cm
Density: 1.35 g/cm3
Flash Point: 331.4 °C
Enthalpy of Vaporization: 100.9 kJ/mol
Boiling Point: 624.3 °C at 760 mmHg
Vapour Pressure: 3.44E-17 mmHg at 25°
The Cas Register Number  of (2S,5R,6R)-6-[(2-Butylsulfanylacetyl)amino]-3 is 6192-29-6.The chemical synonyms of (2S,5R,6R)-6-[(2-Butylsulfanylacetyl)amino]-3 (CAS NO.6192-29-6) are Butylmercaptomethylpenicillin ; N-Butylthiomethylpenicillin ; Penicillin BT .The molecular structure of (2S,5R,6R)-6-[(2-Butylsulfanylacetyl)amino]-3 (CAS NO.6192-29-6) is.

Toxicity Data With Reference

1.    

ice-mus LD50:101 mg/kg

     JLCMAK    Journal of Laboratory and Clinical Medicine. 24 (1949),126.
2.    

ice-dog LD50:11,500 mg/kg

     JLCMAK    Journal of Laboratory and Clinical Medicine. 24 (1949),126.
3.    

isp-dog LD50:56 mg/kg

     JLCMAK    Journal of Laboratory and Clinical Medicine. 24 (1949),126.
4.    

ice-rbt LD50:15,600 mg/kg

     JLCMAK    Journal of Laboratory and Clinical Medicine. 24 (1949),126.

Safety Profile

Poison by intracerebral and intraspinal routes. When heated to decomposition it emits very toxic fumes of NOx and SOx. See also MERCAPTANS and other penicillin entries.