Basic information
- CAS
28325-47-5- Standard SMILES
CC1(C)SC(CNC(=O)Cc2ccccc2)NC1C(=O)O- InChIKey
LRWFMQCGNBOTQP-UHFFFAOYSA-N- Molecular formula
- C15H20N2O3S
- Average molar mass
- 308.4 g/mol
- Monoisotopic mass
- 308.11946368
Overview
formed from decarboxylation of penicilloic acid; structure
Names & identifiers
- Preferred name
- Penilloic acid
- IUPAC
- 5,5-dimethyl-2-[[(2-phenylacetyl)amino]methyl]-1,3-thiazolidine-4-carboxylic acid
- English name
- penilloic acid
- Molecular formula
- C15H20N2O3S
- Molecular weight
- 308.4
Names & synonyms
Penilloic acid501-34-8RefChem:1711334-Thiazolidinecarboxylic acid, 5,5-dimethyl-2-(((2-phenylacetyl)amino)methyl)-5,5-dimethyl-2-(((phenylacetyl)amino)methyl)-1,3-thiazolidine-4-carboxylic acid5,5-Dimethyl-2-((2-phenylacetamido)methyl)thiazolidine-4-carboxylic acidBenzylpenicillin Impurity 48PenilloatePenillosaureMaybridge3_0043965,5-dimethyl-2-[[(2-phenylacetyl)amino]methyl]-1,3-thiazolidine-4-carboxylic acid5,5-dimethyl-2-{[(2-phenylacetyl)amino]methyl}-1,3-thiazolane-4-carboxylic acid
Show more names
Benzylpenilloic AcidBenzylpenicillin Impurity 8Carbenicillin Sodium Impurity HCarbenicillin Sodium EP Impurity H(2RS,4S)-2-[[(Phenylacetyl)amino]meBenzylpenicillin Procaine Impurity CBenzylpenicillin Potassium Impurity FBenzylpenicillin Benzathine Impurity FBenzylpenicillin Procaine EP Impurity C
SCHEMBL31402515DTXSID00964517DTXSID60292186LRWFMQCGNBOTQP-UHFFFAOYSA-NHMS1443H18NSC80686NSC-806865,5-DIMETHYL-2-[(2-PHENYLACETAMIDO)METHYL]-1,3-THIAZOLIDINE-4-CARBOXYLIC ACID
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 394
Physicochemical properties
- Melting point
- 194 · 194-195 °C
- Boiling point
- 585.9 · 585.9±50.0 °C(Predicted)
- Density
- 1.206 · 1.206±0.06 g/cm3(Predicted)
- pka
- 2.02 · 2.02±0.60(Predicted)
- FDA UNII
- 93 JSF8762 · F93JSF8762
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P233, P260, P264, P270, P271, P284, P301+P317, P304+P340, P330, P342+P316, P403, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Chemistry & industry
Suppliers21 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
南京望知星医药科技有限公司18569809817 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
希瓦生物科技（广州）有限公司13268215580 · [email protected]
Hebei Qige Biological Technology Co. Ltd+86 +8618733132031
广州珑莹生物科技有限公司15975567350 15913902477 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
BOC Sciences16314854226 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
上海巍涛化工有限公司02150630626 17717886015 · [email protected]
广州佳途科技股份有限公司020-81960175-877 18933936954 · [email protected]
Related reactions
1 records
Compound notes
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