Benzylpenicilloic acid
CAS Registry Number®
13057-98-2
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CAS Name
Benzylpenicilloic acidMolecular Formula
C16H20N2O5SMolecular Mass
352.41Cite this Page
Benzylpenicilloic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=13057-98-2 (retrieved ) (CAS RN: 13057-98-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
112 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C16H20N2O5S/c1-16(2)12(15(22)23)18-13(24-16)11(14(20)21)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-13,18H,8H2,1-2H3,(H,17,19)(H,20,21)(H,22,23)
InChIKey
InChIKey=HCYWNSXLUZRKJX-UHFFFAOYSA-N
SMILES
C(NC(CC1=CC=CC=C1)=O)(C(O)=O)C2NC(C(O)=O)C(C)(C)S2
Canonical SMILES
O=C(O)C(NC(=O)CC=1C=CC=CC1)C2SC(C)(C)C(N2)C(=O)O
Other Names for this Substance
- 2-Thiazolidineacetic acid, 4-carboxy-5,5-dimethyl-α-[(2-phenylacetyl)amino]-
- 2-Thiazolidineacetic acid, 4-carboxy-5,5-dimethyl-α-[(phenylacetyl)amino]-
- 2-Thiazolidineacetic acid, 4-carboxy-5,5-dimethyl-α-(2-phenylacetamido)-
- 4-Carboxy-5,5-dimethyl-α-[(2-phenylacetyl)amino]-2-thiazolidineacetic acid
- Benzylpenicilloic acid
Deleted or Replaced CAS Registry Numbers
493-39-0, 16883-22-0
