51627-20-4
CEFAPAROLE
Name
CEFAPAROLE
Formula
C19 H19 N5 O5 S3
MolWeight
493.587
1Identification
【Name】
CEFAPAROLE
【CAS】
【MDL】
MFCD00865083
【English Synonyms】
【Formula】
C19 H19 N5 O5 S3
【MolWeight】
493.587
【Inchi】
InChI=1S/C19H19N5O5S3/c1-8-22-23-19(32-8)31-7-10-6-30-17-13(16(27)24(17)14(10)18(28)29)21-15(26)12(20)9-2-4-11(25)5-3-9/h2-5,12-13,17,25H,6-7,20H2,1H3,(H,21,26)(H,28,29)/t12-,13-,17-/m1/s1
【InChIKey】
InChIKey=SBUCDZYLTRYMFG-PBFPGSCMSA-N
【SMILES】
Cc1nnc(s1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)[C@@H](c4ccc(cc4)O)N)SC2)C(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:4
H bond acceptor:10
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
CEFAPAROLE.cml
Quick Release
1-(([5-(DIMETHYLAMINO)-1,3,4-THIADIAZOL-2-YL]SULFANYL)METHYL)CYCLOHEXAN-1-OL
2-(1-[(1,3,4-THIADIAZOL-2-YLSULFANYL)METHYL]CYCLOPROPYL)ETHAN-1-AMINE
2-(1-([(5-METHYL-1,3,4-THIADIAZOL-2-YL)SULFANYL]METHYL)CYCLOPROPYL)ETHAN-1-AMINE
2-(1-[(1,3,4-THIADIAZOL-2-YLSULFANYL)METHYL]CYCLOPROPYL)ACETIC ACID
2-(([1-(BROMOMETHYL)CYCLOPENTYL]METHYL)SULFANYL)-1,3,4-THIADIAZOLE
2-(([1-(BROMOMETHYL)CYCLOBUTYL]METHYL)SULFANYL)-1,3,4-THIADIAZOLE
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