| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 14 | No |
Popular Name: 6-Aminopenicillanic acid 6-Aminopenicillanic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 3115-55-7 , 551-16-6 , [551-16-6]
"6-Aminopenicillanic acid, 96%"
(2S,5R,6R)-(+)-6-Amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
(2S,5R,6R)-6-Amino-2,2-dimethyl-5-oxoperhydroazeto[2,1-b][1,3]thiazole-3-carboxylic acid
(2S,5R,6R)-6-Amino-3,3-dimethyl-7-oxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid
(2S,5R,6R)-6-Amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-amino-3,3-dimethyl-7-oxo-
551-16-6; 6-Aminopenicillanate; 6-Aminopenicillanic acid; C02954
551-16-6; 6-Aminopenicillanic acid; 6-aminopenicillanate
6-amino-2,2-dimethyl-5-oxoperhydroazeto[2,1-b][1,3]thiazole-3-carboxylic acid
6-Amino-3,3-dimethyl-7-oxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid
6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
6-aminopenicillanic acid zwitterion
6-aminopenicillinic acid (6-APA)
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | -0.22 | -0.71 | -76.57 | 3 | 5 | 0 | 88 | 216.262 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| biological_source | Prod. by enzymic hydrol. of benzyl- or phenoxymethylpenicillins. Also prod. as metab. prod. of several penicillin-producing fungi, esp. when side-chain precursors are absent. | ZereneX Building Blocks |
| Mp [°C] | 197 - 203 | Acros Organics |
| MP | 198-200°(dec.) | Oakwood Chemical |
| MP | 198-200°dec | Matrix Scientific |
| Melting_Point | 200? dec. | Alfa-Aesar |
| Melting_Point | 200° dec. | Alfa-Aesar |
| Purity | 95+% | Matrix Scientific |
| Purity | 97% | APIChem |
| Purity | 98% | Fluorochem |
| UniProt Database Links | AAAA_EMENI; AAAA_PENCH; PAC2_PSES3; PAC_ARTVI; PAC_BACME; PAC_ECOLX; PAC_KLUCR; PAC_LYSSH | ChEBI |
| biological_use | Antibiotic against | IBScreen Bioactives |
| Indications | antibiotic fragment | KeyOrganics Bioactives |
| Patent Database Links | EP0820999; EP0826776; EP0950660; US2005020685 | ChEBI |
| H phrase | H317: May cause an allergic skin reaction | Acros Organics |
| H phrase | H317: May cause an allergic skin reaction; H334: May cause allergy or asthma symptoms or breathing difficulties if inhaled | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| Warnings | Irritant/Refrigerate | Matrix Scientific |
| mechanism | Lactamase inhibitor | IBScreen Bioactives |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P304 + P341: IF INHALED: If breathing is difficult, remove to fresh air and keep at rest in a position comfortable for breathing; P342 + P311: If experiencing respiratory symptoms: Call a POISON CENTE | Acros Organics |
| UniProt Database Links | PAC2_PSES3; PAC_ARTVI; PAC_BACME; PAC_ECOLX; PAC_KLUCR; PAC_LYSSH | ChEBI |
| biological_use | Proteus mirabilis, Escherichia coli and Staphylococcus aureus | IBScreen Bioactives |
| R phrase | R42/43: May cause sensitisation by inhalation and skin contact. | Acros Organics |
| S phrase | S24: Avoid contact with skin. | Acros Organics |
| S phrase | S24: Avoid contact with skin.; S37: Wear suitable gloves.; S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). | Acros Organics |
| PUBCHEM_PATENT_ID | US4073780 | IBM Patent Data |
| Hazard | XN: Harmful | Acros Organics |
