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CHEBI:756257 - bofumustine

Default Structure
ChEBI IDCHEBI:756257
ChEBI Namebofumustine
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC18H21ClN4O9
Net Charge0
Average Mass472.838
Monoisotopic Mass472.09971
SMILESCC1(C)O[C@@H]2[C@@H](COC(=O)c3ccc([N+](=O)[O-])cc3)OC(NC(=O)N(CCCl)N=O)[C@@H]2O1
InChIInChI=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
InChIKeyYASNUXZKZNVXIS-CBNXCZCTSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
bofumustine (CHEBI:756257) is a nitrobenzoic acid (CHEBI:25553)
INNs  Source
bofumustinaWHO MedNet
bofumustineWHO MedNet
Synonym  Source
NSC-279194ChEMBL