CAS
87088-74-2 Purity
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87088-74-2 Purity
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Almecillin
CAS
87-09-2
Catalog Number
ACM87092
Category
Other Products
Molecular Weight
330.427
Molecular Formula
C13H18N2O4S2
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Specification
Synonyms
almecillin;PenicillinO;(6R)-6-[N-[2-(Allylthio)acetyl]amino]penicillanic acid;6α-[[(2-Propenylthio)acetyl]amino]penicillanic acid;Allylthiomethylpenicillin;Penicillin AT;(2S,5R,6R)-3,3-dimethyl-7-oxo-6-(2-prop-2-enylsulfanylethanoylamino)-4-thia-1-azabic
IUPAC Name
(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-prop-2-enylsulfanylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Canonical SMILES
CC1(C(N2C(S1)C(C2=O)NC(=O)CSCC=C)C(=O)O)C
InChI Key
QULKGELYPOJSLP-WCABBAIRSA-N
Boiling Point
629.8ºC at 760 mmHg
Flash Point
334.7ºC
Density
1.41g/cm³
Exact Mass
330.07100
H-Bond Acceptor
6
H-Bond Donor
2
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CAS
870889-20-6 Purity
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870889-20-6 Purity
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