Ampicilloic Acid

Base Information

Chemical Name:Ampicilloic Acid
CAS No.:32746-94-4
Molecular Formula:C16H21N3O5S
Molecular Weight:367.426
Hs Code.:
UNII:9384342O2N
DSSTox Substance ID:DTXSID80186417
Nikkaji Number:J1.191.617A
Wikidata:Q27271572
ChEMBL ID:CHEMBL1237008
Mol file:32746-94-4.mol

Synonyms:Ampicilloic Acid;32746-94-4;alpha-Aminobenzylpenicilloic acid;Glycine, (2R)-2-phenylglycyl-2-((2R,4S)-4-carboxy-5,5-dimethyl-2-thiazolidinyl)-, (2R)-;UNII-9384342O2N;9384342O2N;(2R,4S)-2-((R)-((R)-2-Amino-2-phenylacetamido)(carboxy)methyl)-5,5-dimethylthiazolidine-4-carboxylic acid;(2r,4s)-2-[(R)-{[(2r)-2-Amino-2-Phenylacetyl]amino}(Carboxy)methyl]-5,5-Dimethyl-1,3-Thiazolidine-4-Carboxylic Acid;AIX;ZZ7;CHEMBL1237008;DTXSID80186417;KDAWOPKDXRJNHV-MPPDQPJWSA-N;.ALPHA.-AMINOBENZYLPENICILLOIC ACID;AMPICILLIN IMPURITY D [EP IMPURITY];AMPICILLIN SODIUM IMPURITY D [EP IMPURITY];AMPICILLIN TRIHYDRATE IMPURITY D [EP IMPURITY];Q27271572;(2R,4S)-2-[(R)-[[(2R)-2-amino-2-phenylacetyl]amino]-carboxymethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid;(alphaR,2R)-alpha-[[(R)-Aminophenylacetyl]amino]-4beta-carboxy-5,5-dimethylthiazolidine-2alpha-acetic acid

Suppliers and Price of Ampicilloic Acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
AmpicilloicAcid(>90%)
10mg
$ 185.00

Medical Isotopes, Inc.
AmpicilloicAcid
100 mg
$ 2200.00

Total 6 raw suppliers

Chemical Property of Ampicilloic Acid

Chemical Property:

Boiling Point:707.1±60.0 °C(Predicted)
PKA:1.93±0.60(Predicted)
PSA：167.05000
Density:1.364±0.06 g/cm3(Predicted)
LogP:1.57010
Storage Temp.:Hygroscopic, -20°C Freezer, Under inert atmosphere
Solubility.:Aqueous Acid (Slightly), DMSO (Slightly)
XLogP3:-4.2
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:367.12019195
Heavy Atom Count:25
Complexity:536

Purity/Quality:

99%, ^*data from raw suppliers

AmpicilloicAcid(>90%) ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1(C(NC(S1)C(C(=O)O)NC(=O)C(C2=CC=CC=C2)N)C(=O)O)C
Isomeric SMILES:CC1([C@@H](N[C@H](S1)[C@@H](C(=O)O)NC(=O)[C@@H](C2=CC=CC=C2)N)C(=O)O)C
Uses Ampicilloic Acid is a metabolite and impurity of the semi-synthetic antibiotic Ampicillin (A634300).

Technology Process of Ampicilloic Acid

There total 2 articles about Ampicilloic Acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

: 69-53-4
ampicillin

: 32746-94-4
the penicilloic acid of ampicillin

Guidance literature:: With sodium hydroxide; at 37 ℃; for 0.75h;
DOI:10.1248/cpb.28.3527

Reference yield:

: 33993-48-5
ampicillin

: 49841-96-5,94595-14-9
diketopiperazine

: 32746-94-4
(5R,6R)-penicilloic acid

: 71774-55-5
(5S,6R)-penicilloic acid

Guidance literature:: With sodium chlorate; sodium hydroxide; In methanol; water; Product distribution;
DOI:10.1021/ac00121a066

Reference yield:

: 32746-94-4
the penicilloic acid of ampicillin

: 75076-79-8
the penamaldic acid of ampicillin

Guidance literature:: With sodium dihydrogenphosphate; In water; at 30 ℃; for 6h; investigation of the origin of the new metabolites (penamaldic acids) from various amino-penicillins via degradation of various penicilloic acids by NaH₂PO₄ or HgCl₂;
DOI:10.1248/cpb.28.3527