CAS
5552-83-0 Purity
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5552-83-0 Purity
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Rotamicillin
CAS
55530-41-1
Catalog Number
ACM55530411
Category
Other Products
Molecular Weight
549.649
Molecular Formula
C28H31N5O5S
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Specification
Synonyms
Rotamicillin, Rotamicillina, Rotamicilline, Rotamicillinum, Rotamicillin [INN], CID3058737, 55530-41-1
IUPAC Name
(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[[(2R)-2-phenyl-2-[[2-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]acetyl]amino]acetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Canonical SMILES
CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)NC(=O)CC4=CC=C(C=C4)C5=NCCCN5)C(=O)O)C
InChI Key
PXNNCSKFUDOUJS-ZUVQJFRASA-N
Boiling Point
948.2ºC at 760 mmHg
Flash Point
527.3ºC
Density
1.46g/cm³
Exact Mass
549.20500
H-Bond Acceptor
7
H-Bond Donor
4
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