patent blue patent blue
structural formula
| business number | 03ly |
|---|---|
| molecular formula | c27h31n2nao6s2 |
| molecular weight | 566.66 |
| label |
4,4′-bis(diethylamino)triphenyl dehydrated methanol-2”,4”-disulfonate monosodium, acid lake blue v, acidic lake blue vn150, acid blue 1, patent blue vf, aromatic compounds |
numbering system
cas number:129-17-9
mdl number:mfcd00012119
einecs number:204-934-1
rtecs number:bp6830000
brn number:none
pubchem number:24851867
physical property data
none yet
toxicological data
, acute toxicity: men intravenously ldlo: 33ug/kg
rat oral ld: >3gm/kg
rat intravenous ld5o: 5gm/kg
mouse transabdominal ld5o: 3gm/kg
mouse intravenously ld5o: 1200mg/kg
2, other multiple dose toxicity: rat inhalationtclo：110mg/m3/13w-i
3, tumorigenicity: rats subcutaneously tdlo: 3000mg/kg/33w-i
rat intramuscular tdlo: 2070mg/kg/50w-i
rat subcutaneous td: 4050mg/kg/45w-i
4, mutagenicity: salmonella gene mutation testing system: 1mg/plate
mouse abdominal micronucleus test: 200mg/kg
ecological data
none yet
molecular structure data
none yet
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): none
2. number of hydrogen bond donors: 0
3. number of hydrogen bond acceptors: 7
4. number of rotatable chemical bonds: 7
5. number of tautomers: none
6. topological molecule polar surface area 137
7. number of heavy atoms: 38
8. surface charge: 0
9. complexity: 1040
10. number of isotope atoms: 0
11. determine the number of atomic stereocenters: 0
12. uncertain number of atomic stereocenters: 0
13. determine the number of chemical bond stereocenters: 0
14. number of uncertain chemical bond stereocenters: 0
15. number of covalent bond units: 2
properties and stability
none yet
storage method
none yet
synthesis method
none yet
purpose
none yet
