| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 18 | No |
Popular Name: 7-Aminocephalosporanic acid 7-Aminocephalosporanic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 108260-00-0 , 1219345-59-1 , 68090-55-1 , 957-68-6 , [957-68-6]
"7-Aminocephalosporanic acid, 97%"
(6R,7R)-3-(acetoxymethyl)-7-azaniumyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
(6R,7R)-3-(acetyloxymethyl)-7-ammonio-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
(6R,7R)-3-[(acetyloxy)methyl]-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
3-Acetoxymethyl-7-amino-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid
3-[(acetyloxy)methyl]-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
7-ACA; 7-Aminocephalosporanic acid; 7-Aminocephalosporinic acid
7-Aminocephalosporanic acid, 95-102%
7-Aminocephalosporanic acid, 98% (dry wt.), may cont. up to 2% water
7-beta-Amino-3-acetoxymethylcephancarboxylic acid
7beta-aminocephalosporanic acid
7beta-aminocephalosporanic acid zwitterion
957-68-6; Cephalosporanic acid, 7-amino; Prestwick_714
ACETOXYMETHYLAMINOOXOTHIAAZABICYCLOOCTENECARBOXYLICACIDTRIFLUOROACET
ACETOXYMETHYLAMINOOXOTHIAAZABICYCLOOCTENECARBOXYLICACIDTRIFLUOROACETICACIDSAL
| 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) | -1.37 | 3.4 | -82.91 | 3 | 7 | 0 | 114 | 272.282 | 4 | ↓ |
| Hi High (pH 8-9.5) | -1.37 | 3.07 | -61.25 | 2 | 7 | -1 | 113 | 271.274 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Mp [°C] | >300 | Acros Organics |
| Melting_Point | >300? | Alfa-Aesar |
| Melting_Point | >300° | Alfa-Aesar |
| UniProt Database Links | DAP_BRUA1; DAP_BRUA2; DAP_BRUAB; DAP_BRUC2; DAP_BRUMB; DAP_BRUME; DAP_BRUO2; DAP_BRUSI; DAP_BRUSU; DAP_GLUOX; DAP_OCHA4; DAP_OCHAN; DAP_RHOS1; DAP_RHOS4; DAP_RHOSK; HCPA_HELPJ; HCPA_HELPY; HCPB_HELPY; HCPC_HELPJ; HCPC_HELPY; HCPD_HELPJ; HCPD_HELPY; HCPE_H | ChEBI |
| Patent Database Links | EP1085000; EP1416054; US2006259993 | ChEBI |
| UniProt Database Links | G7AC_BREDI; G7AC_PSEU7 | 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 |
| Target | Others | Selleck Chemicals |
| 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 |
| R phrase | R42/43: May cause sensitisation by inhalation and skin contact. | Acros Organics |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
