DAUNORUBICIN CITRATE

Search structure
Trade Names:
Synonyms:
Status: Approved (1996)
Entry Type: Small molecule
Molecule Category: Salt
UNII: 5L84T2Z6NP
Parent Compound: DAUNORUBICIN

Structure
InChI Key VNTHYLVDGVBPOU-QQYBVWGSSA-N
Smile COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChI
InChI=1S/C27H29NO10.C6H8O7/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t10-,14-,16-,17-,22+,27-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C33H37NO17
Molecular Weight 719.65
AlogP 1.03
Hydrogen Bond Acceptor 11.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 4.0
Polar Surface Area 185.84
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 38.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR DNA inhibitor Wikipedia DailyMed DailyMed

Metabolites

visNetwork

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Leukemia 2 D007938 ClinicalTrials
Sarcoma 1 D012509 ClinicalTrials
Breast Neoplasms 1 D001943 ClinicalTrials

Related Entries

Scaffolds

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Neoplasms benign, malignant and unspecified (incl cysts and polyps)
50.0
Blood and lymphatic system disorders
33.33
Gastrointestinal disorders
8.33
Skin and subcutaneous tissue disorders
8.33

Cross References

Resources Reference
ChEMBL CHEMBL1200475
EPA CompTox DTXSID20190659
FDA SRS 5L84T2Z6NP
PubChem 9961878
SureChEMBL SCHEMBL42311
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