Cefcapene pivoxil

C23H29N5O8S2CAS 105889-45-0567.63 g/mol

Open in Covalent MOL file
SNH2NONHNOSOONH2OOOO
AcetalAlkeneAmideCarbamateEsterLactamPrimary amineSulfide

Properties

Molecular formula
C23H29N5O8S2
Molar mass
567.63 g/mol
Exact mass
567.1458 Da
logP
1.36Crippen estimate
Polar surface area
193.2 Ų
H-bond donors / acceptors
3 / 12
Rotatable bonds
9
Stereocentres
R, Rin SMILES atom order
Double bonds
ZE/Z, in SMILES order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
105889-45-0
SMILES
CC/C=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)OCOC(=O)C(C)(C)C
InChIKey
WVPAABNYMHNFJG-QDVBXLKVSA-N
InChI
InChI=1S/C23H29N5O8S2/c1-5-6-12(13-9-38-21(24)26-13)16(29)27-14-17(30)28-15(11(7-34-22(25)33)8-37-18(14)28)19(31)35-10-36-20(32)23(2,3)4/h6,9,14,18H,5,7-8,10H2,1-4H3,(H2,24,26)(H2,25,33)(H,27,29)/b12-6-/t14-,18-/m1/s1

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Tanimoto similarity of circular fingerprints over the whole catalogue.

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Elsewhere

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