aclarubicin
group of stereoisomers with the chemical formula C₄₂H₅₃NO₁₅
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aclarubicin
Summary
aclarubicin is a group of stereoisomers[1].
Key Facts
- aclarubicin's instance of is recorded as group of stereoisomers[2].
- aclarubicin's canonical SMILES is recorded as O=C1C=2C=CC=C(O)C2C(=O)C=3C(O)=C4C(=CC13)C(C(=O)OC)C(O)(CC)CC4OC5OC(C)C(OC6OC(C)C(OC7OC(C(=O)CC7)C)C(O)C6)C(N(C)C)C5[3].
- aclarubicin's InChI is recorded as InChI=1S/C42H53NO15/c1-8-42(51)17-28(33-22(35(42)41(50)52-7)14-23-34(38(33)49)37(48)32-21(36(23)47)10-9-11-26(32)45)56-30-15-24(43(5)6)39(19(3)54-30)58-31-16-27(46)40(20(4)55-31)57-29-13-12-25(44)18(2)53-29/h9-11,14,18-20,24,27-31,35,39-40,45-46,49,51H,8,12-13,15-17H2,1-7H3/t18?,19?,20?,24?,27?,28-,29?,30?,31?,35-,39?,40?,42+/m0/s1[4].
- aclarubicin's InChIKey is recorded as USZYSDMBJDPRIF-XCKHQVGJSA-N[5].
- aclarubicin's chemical formula is recorded as C₄₂H₅₃NO₁₅[6].
- aclarubicin's subclass of is recorded as anthracycline polyketide[7].
- aclarubicin's PubChem CID is recorded as 308141[8].
- aclarubicin's isomeric SMILES is recorded as CC[C@@]1(O)CC@Hc2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OCC@Hc2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC">[9].
- aclarubicin's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+811.3415199960001'}[10].
- aclarubicin's SureChEMBL ID is recorded as 1649619[11].
- aclarubicin's UniChem compound ID is recorded as 150870[12].
- aclarubicin's Probes And Drugs ID is recorded as PD011255[13].