CEPHAPIRIN

Search structure
Synonyms:
Status: Approved (1974)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 89B59H32VN

Structure
InChI Key UQLLWWBDSUHNEB-CZUORRHYSA-N
Smile CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)CSc3ccncc3)[C@H]2SC1
InChI
InChI=1S/C17H17N3O6S2/c1-9(21)26-6-10-7-28-16-13(15(23)20(16)14(10)17(24)25)19-12(22)8-27-11-2-4-18-5-3-11/h2-5,13,16H,6-8H2,1H3,(H,19,22)(H,24,25)/t13-,16-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H17N3O6S2
Molecular Weight 423.47
AlogP 0.48
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 125.9
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 28.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 554446
ChEMBL CHEMBL1599
DrugBank DB01139
DrugCentral 575
EPA CompTox DTXSID9022784
FDA SRS 89B59H32VN
Human Metabolome Database HMDB0015270
KEGG C06896
PharmGKB PA164749340
PubChem 30699
SureChEMBL SCHEMBL3205
ZINC ZINC000003830511
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