EPIRUBICIN HYDROCHLORIDE

Search structure
Trade Names:
Synonyms:
Status: Approved (1999)
Entry Type: Small molecule
Molecule Category: Salt
UNII: 22966TX7J5
Parent Compound: EPIRUBICIN

Structure
InChI Key MWWSFMDVAYGXBV-FGBSZODSSA-N
Smile COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@@H](O)[C@H](C)O1.Cl
InChI
InChI=1S/C27H29NO11.ClH/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34;/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3;1H/t10-,13-,15-,17-,22-,27-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H30ClNO11
Molecular Weight 579.99
AlogP 0.0
Hydrogen Bond Acceptor 12.0
Hydrogen Bond Donor 6.0
Number of Rotational Bond 5.0
Polar Surface Area 206.07
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 39.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR DNA inhibitor DailyMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Breast Neoplasms 4 D001943 ClinicalTrials
Breast Neoplasms 4 D001943 ClinicalTrials
Stomach Neoplasms 3 D013274 ClinicalTrials
Lymphoma 3 D008223 ClinicalTrials
Endometrial Neoplasms 3 D016889 ClinicalTrials
Carcinoma, Hepatocellular 3 D006528 ClinicalTrials
Precursor Cell Lymphoblastic Leukemia-Lymphoma 3 D054198 ClinicalTrials
Carcinoma 3 D002277 ClinicalTrials
Stomach Neoplasms 3 D013274 ClinicalTrials
Sarcoma 3 D012509 ClinicalTrials
Stomach Neoplasms 3 D013274 ClinicalTrials
Urinary Bladder Neoplasms 3 D001749 ClinicalTrials
Peritoneal Neoplasms 3 D010534 ClinicalTrials
Fallopian Tube Neoplasms 3 D005185 ClinicalTrials
Esophageal Neoplasms 3 D004938 ClinicalTrials
Ovarian Neoplasms 3 D010051 ClinicalTrials
Lung Neoplasms 3 D008175 ClinicalTrials
Adenocarcinoma 3 D000230 ClinicalTrials
Sarcoma 3 D012509 ClinicalTrials
Small Cell Lung Carcinoma 3 D055752 ClinicalTrials
Esophageal Neoplasms 3 D004938 ClinicalTrials
Mesothelioma 2 D008654 ClinicalTrials
Lymphoma, T-Cell, Peripheral 2 D016411 ClinicalTrials
Melanoma 2 D008545 ClinicalTrials
Pancreatic Neoplasms 2 D010190 ClinicalTrials
Leukemia 2 D007938 ClinicalTrials
Liver Neoplasms 2 D008113 ClinicalTrials
Triple Negative Breast Neoplasms 2 D064726 ClinicalTrials
Prostatic Neoplasms, Castration-Resistant 1 D064129 ClinicalTrials
Inflammatory Breast Neoplasms 1 D058922 ClinicalTrials
Breast Neoplasms, Male 1 D018567 ClinicalTrials

Related Entries

Scaffolds

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
13.7
Gastrointestinal disorders
10.28
Nervous system disorders
7.67
Blood and lymphatic system disorders
7.38
Cardiac disorders
6.78
Respiratory, thoracic and mediastinal disorders
6.35
Vascular disorders
4.97
Skin and subcutaneous tissue disorders
4.68
Investigations
4.64
Musculoskeletal and connective tissue disorders
4.47
Injury, poisoning and procedural complications
4.39
Neoplasms benign, malignant and unspecified (incl cysts and polyps)
4.26
Infections and infestations
4.24
Metabolism and nutrition disorders
3.03
Hepatobiliary disorders
3.01
Psychiatric disorders
2.69

Cross References

Resources Reference
ChEMBL CHEMBL1200981
FDA SRS 22966TX7J5
PubChem 65348
SureChEMBL SCHEMBL3165
ZINC ZINC13115922
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