IDARUBICIN HYDROCHLORIDE

Search structure
Trade Names:
Synonyms:
Status: Approved (1990)
Entry Type: Small molecule
Molecule Category: Salt
UNII: 5VV3MDU5IE
Parent Compound: IDARUBICIN

Structure
InChI Key JVHPTYWUBOQMBP-RVFAQHLVSA-N
Smile CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O.Cl
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H28ClNO9
Molecular Weight 533.96
AlogP 1.02
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 3.0
Polar Surface Area 176.61
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 36.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR DNA inhibitor DailyMed Wikipedia

Metabolites

visNetwork

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Leukemia, Myeloid 2 D007951 ClinicalTrials

Related Entries

Scaffolds

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Blood and lymphatic system disorders
15.59
Infections and infestations
13.32
General disorders and administration site conditions
10.91
Respiratory, thoracic and mediastinal disorders
8.04
Neoplasms benign, malignant and unspecified (incl cysts and polyps)
7.5
Vascular disorders
6.1
Gastrointestinal disorders
5.64
Cardiac disorders
4.49
Nervous system disorders
4.38
Injury, poisoning and procedural complications
3.98
Hepatobiliary disorders
3.37
Investigations
3.34
Metabolism and nutrition disorders
2.86
Skin and subcutaneous tissue disorders
2.37

Cross References

Resources Reference
ChEBI 31686
ChEMBL CHEMBL1200976
EPA CompTox DTXSID0047797
FDA SRS 5VV3MDU5IE
PubChem 636362
SureChEMBL SCHEMBL4838
CONTENTS