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Isopropicillin

Isopropicillin structure

CAS No:
4780-24-9
Formula:
C18H22N2O5S
Chemical Name:
Isopropicillin
Synonyms:
L-33332;Lilly-33332;Isoprocillin;Isopropicillin;Isopropicillin[inn];α-Phenoxyisopropylpenicillin;(2S,5β)-3,3-Dimethyl-6α-[(2-methyl-1-oxo-2-phenoxypropyl)amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2β-carboxylicacid
Categories:
Active Pharmaceutical Ingredients > Antibiotics

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Isopropicillin Basic Attributes

Molecular Weight：

378.447

Exact Mass：

378.12500

UNII：

05T9139TJW

DSSTox ID：

DTXSID50197292

Characteristics

PSA：

121

XLogP3：

1.80450

Density：

1.38g/cm3

Boiling Point：

668.7ºC at 760mmHg

Flash Point：

358.2ºC

Refractive Index：

1.628

Computed Properties

Molecular Weight:378.4
XLogP3:2.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:378.12494298
Monoisotopic Mass:378.12494298
Topological Polar Surface Area:121
Heavy Atom Count:26
Complexity:615
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes