Biological and Environmental Research Ontology

Last uploaded: December 23, 2022
Jump to:
Preferred Name

Idarubicin hydrochloride
Synonyms

Idarubicin hydrochloride
ID

http://purl.obolibrary.org/obo/CHEBI_31686
alternative term

Idarubicin hydrochloride
charge

0
database_cross_reference

CAS:57852-57-0

KEGG:D01747
formula

C26H27NO9.HCl

C26H28ClNO9
has_exact_synonym

Idarubicin hydrochloride
has_obo_namespace

chebi_ontology
id

CHEBI:31686
in_subset

http://purl.obolibrary.org/obo/chebi#2_STAR
inchi

InChI=1S/C26H27NO9.ClH/c1-10-21(29)15(27)7-17(35-10)36-16-9-26(34,11(2)28)8-14-18(16)25(33)20-19(24(14)32)22(30)12-5-3-4-6-13(12)23(20)31;/h3-6,10,15-17,21,29,32-34H,7-9,27H2,1-2H3;1H/t10-,15-,16-,17-,21+,26-;/m0./s1
inchikey

JVHPTYWUBOQMBP-RVFAQHLVSA-N
label

Idarubicin hydrochloride
mass

533.956
monoisotopicmass

533.14526
notation

CHEBI:31686
prefLabel

Idarubicin hydrochloride
smiles

Cl.C1=CC=C2C(=C1)C(C=3C(C2=O)=C(C4=C(C3O)C[C@](C[C@@H]4O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N)(C(C)=O)O)O)=O
subClassOf

http://purl.obolibrary.org/obo/CHEBI_48120
Add comment
Add proposal
Delete Subject Author Type Created
No notes to display