4',5'-Dihydrocefradine

C₁₆H₂₁N₃O₄SCAS 37051-00-6351.42 g/mol

Open in Covalent MOL file

Alkene Amide Carboxylic acid Lactam Primary amine Sulfide

Properties

Molecular formula: C₁₆H₂₁N₃O₄S
Molar mass: 351.42 g/mol
Exact mass: 351.1253 Da
logP: 0.57Crippen estimate
Polar surface area: 112.7 Å²
H-bond donors / acceptors: 3 / 5
Rotatable bonds: 4
Stereocentres: R, Rin SMILES atom order

Hazards

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

Search the SDS library

Identifiers

CAS number

37051-00-6

SMILES

CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)C(C3=CCCCC3)N)SC1)C(=O)O

InChIKey

BNLDYUJJDMUOPZ-HUFXEGEASA-N

InChI

InChI=1S/C16H21N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h5,10-11,15H,2-4,6-7,17H2,1H3,(H,18,20)(H,22,23)/t10?,11-,15-/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 4',5'-Dihydrocefradine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Cephradine monohydrate75975-70-170 % similar 7-Aminodeacetoxycephalosporanic acid22252-43-353 % similar 7-Amino-3-methyl-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid26395-99-353 % similar Cephradine38821-53-348 % similar Cefprozil hydrate121123-17-943 % similar Cephalexin15686-71-240 % similar Cefadroxil50370-12-239 % similar Cephalexin monohydrate23325-78-239 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-[2-[4-(Aminosulfonyl)phenyl]ethyl]-3-ethyl-2,5-dihydro-4-methyl-2-oxo-1H-pyrrole-1-carboxamide119018-29-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook