Basic information
- CAS
39325-01-4- Standard SMILES
CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)[O-]- InChIKey
JGSARLDLIJGVTE-MBNYWOFBSA-M- Molecular formula
- C16H17N2O4S-
- Average molar mass
- 333.4 g/mol
- Monoisotopic mass
- 333.0909032
Overview
Benzylpenicillin(1-) is a penicillinate anion. It is a conjugate base of a benzylpenicillin.
Names & identifiers
- Preferred name
- Picibanil
- IUPAC
- (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
- English name
- Picibanil
- Molecular formula
- Null
- Molecular weight
- 0
Names & synonyms
PICIBANIL39325-01-4OK 432OK-4322F42BH7X2LDTXSID00192555NSC B116209PicibanylStreptococcal OK432Streptococcal OK 432Streptococcal OK-432Streptococcal Preparation OK432
Show more names
Streptococcal Preparation OK 432Streptococcal Preparation OK-432NSCB116209OK432RefChem:929250TARA-002DTXCID40115046Sapylin
Database identifiers
- CAS
39325-01-4、54836-26-9- PubChem CID
- 640429
- DTXSID
DTXSID00192555- ChEBI
CHEBI:51354- UNII
- JSJ7BT3Q86
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- -1
- Complexity
- 525
Physicochemical properties
- FDA UNII
- 2 F42BH7X2L · 2F42BH7X2L
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationSubstances that inhibit or prevent the proliferation of NEOPLASMS.
Suppliers6 total
杭州大海生物医药有限公司63811159 18906514933 · [email protected]
池州凯隆进出口贸易有限公司[email protected]
杭州鼎燕化工有限公司0571-87157530-8003 18049756717 · [email protected]
风咏生物（AbMole）021-10000000 13000000000 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
奥默生物技术（上海）有限公司19821158099 · [email protected]
Additional notes
DefinitionChEBI: Benzylpenicillin(1-) is a penicillinate anion. It is a conjugate base of a benzylpenicillin.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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