paclitaxel ceribate
chemical compound
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paclitaxel ceribate
Summary
paclitaxel ceribate is a group of stereoisomers[1].
Key Facts
- paclitaxel ceribate's instance of is recorded as group of stereoisomers[2].
- paclitaxel ceribate's CAS Registry Number is recorded as 186040-50-6[3].
- paclitaxel ceribate's canonical SMILES is recorded as CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)OC(=O)OCC(CO)O)C)OC(=O)C[4].
- paclitaxel ceribate's InChI is recorded as InChI=1S/C51H57NO18/c1-27-34(67-46(61)39(57)38(30-16-10-7-11-17-30)52-44(59)31-18-12-8-13-19-31)23-51(63)43(69-45(60)32-20-14-9-15-21-32)41-49(6,42(58)40(66-28(2)54)37(27)48(51,4)5)35(68-47(62)64-25-33(56)24-53)22-36-50(41,26-65-36)70-29(3)55/h7-21,33-36,38-41,43,53,56-57,63H,22-26H2,1-6H3,(H,52,59)/t33?,34-,35-,36+,38-,39+,40+,41-,43-,49+,50-,51+/m0/s1[5].
- paclitaxel ceribate's InChIKey is recorded as HSUDWURBWSUCOB-JPHWUADUSA-N[6].
- paclitaxel ceribate's chemical formula is recorded as C₅₁H₅₇NO₁₈[7].
- paclitaxel ceribate's subclass of is recorded as chemical compound[8].
- paclitaxel ceribate's ChEMBL ID is recorded as CHEMBL1975551[9].
- paclitaxel ceribate's UNII is recorded as B3C86E80A0[10].
- paclitaxel ceribate's ChemSpider ID is recorded as 24958711[11].
- paclitaxel ceribate's PubChem CID is recorded as 390521[12].
- paclitaxel ceribate's DrugBank ID is recorded as DB17223[13].
- paclitaxel ceribate's isomeric SMILES is recorded as CC1=C2C@HOC(=O)CC@(CO4">[14].
- paclitaxel ceribate's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+971.358'}[15].
- paclitaxel ceribate's SureChEMBL ID is recorded as 29352608[16].
- paclitaxel ceribate's DSSTox substance ID is recorded as DTXSID801318715[17].
- paclitaxel ceribate's UniChem compound ID is recorded as 27219814[18].