bofumustine
chemical compound
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bofumustine
Summary
bofumustine is a group of stereoisomers[1].
Key Facts
- bofumustine's instance of is recorded as group of stereoisomers[2].
- bofumustine's CAS Registry Number is recorded as 55102-44-8[3].
- bofumustine's canonical SMILES is recorded as CC1(OC2C(OC(C2O1)NC(=O)N(CCCl)N=O)COC(=O)C3=CC=C(C=C3)N+[O-])CN+[O-])C">[4].
- bofumustine's InChI is recorded as InChI=1S/C18H21ClN4O9/c1-18(2)31-13-12(9-29-16(24)10-3-5-11(6-4-10)23(27)28)30-15(14(13)32-18)20-17(25)22(21-26)8-7-19/h3-6,12-15H,7-9H2,1-2H3,(H,20,25)/t12-,13-,14-,15?/m1/s1[5].
- bofumustine's InChIKey is recorded as YASNUXZKZNVXIS-CBNXCZCTSA-N[6].
- bofumustine's chemical formula is recorded as C₁₈H₂₁ClN₄O₉[7].
- bofumustine's subclass of is recorded as chemical compound[8].
- bofumustine's UNII is recorded as 6P52D0J76B[9].
- bofumustine's ChemSpider ID is recorded as 90617[10].
- bofumustine's PubChem CID is recorded as 100269[11].
- bofumustine's isomeric SMILES is recorded as CC1(O[C@@H]2C@HCOC(=O)C3=CC=C(C=C3)N+[O-])CC@HCOC(=O)C3=CC=C(C=C3)N+[O-])C">[12].
- bofumustine's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+472.1'}[13].
- bofumustine's NSC number is recorded as 279194[14].
- bofumustine's SureChEMBL ID is recorded as 28141[15].
- bofumustine's DSSTox substance ID is recorded as DTXSID50971579[16].
- bofumustine's DSSTox substance ID is recorded as DTXSID801023914[17].
- bofumustine's DSSTOX compound identifier is recorded as DTXCID701399087[18].
- bofumustine's UniChem compound ID is recorded as 1076426[19].