QA-Cbl
General
Type : Pro-Drug, Drug, Choline ester, Trimethylammonium
Chemical_Nomenclature : 2-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoyloxy]ethyl-trimethylazanium
Canonical SMILES : C1(=CC=C(C=C1)N(CCCl)CCCl)CCCC(OCC[N+](C)(C)C)=O.[Cl-] || C[N+](C)(C)CCOC(=O)CCCC1=CC=C(C=C1)N(CCCl)CCCl
InChI : InChI=1S\/C19H31Cl2N2O2.ClH\/c1-23(2,3)15-16-25-19(24)6-4-5-17-7-9-18(10-8-17)22(13-11-20)14-12-21\;\/h7-10H,4-6,11-16H2,1-3H3\;1H\/q+1\;\/p-1 || InChI=1S\/C19H31Cl2N2O2\/c1-23(2,3)15-16-25-19(24)6-4-5-17-7-9-18(10-8-17)22(13-11-20)14-12-21\/h7-10H,4-6,11-16H2,1-3H3\/q+1
InChIKey : PPIBJUOFMPSEQM-UHFFFAOYSA-M || VFJKYYAJEJVIPQ-UHFFFAOYSA-N
Other name(s) : Chlorambucil choline ester
MW : 425.82 || 390.4
Formula : C19H31Cl3N2O2 || C19H31Cl2N2O2+
CAS_number :
PubChem : 163494229
UniChem : PPIBJUOFMPSEQM-UHFFFAOYSA-M, VFJKYYAJEJVIPQ-UHFFFAOYSA-N
Target
Structures : No structure
Families : BCHE
References (1)
| Title : Enzyme-responsive sulfatocyclodextrin\/prodrug supramolecular assembly for controlled release of anti-cancer drug chlorambucil - Guan_2019_Chem.Commun.(Camb)_55_953 |
| Author(s) : Guan X , Chen Y , Wu X , Li P , Liu Y |
| Ref : Chem Commun (Camb) , 55 :953 , 2019 |
| Abstract : |
| PubMedSearch : Guan_2019_Chem.Commun.(Camb)_55_953 |
| PubMedID: 30604783 |