Basic information
- CAS
155773-58-3- Standard SMILES
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc3c(cc1c2CN1CCN(C)CC1)OCCO3.Cl.Cl- InChIKey
ORIWMYRMOGIXGG-ZXVJYWQYSA-N- Molecular formula
- C28H32Cl2N4O6
- Average molar mass
- 591.5 g/mol
- Monoisotopic mass
- 590.1698901
Overview
See also: Lurtotecan (has active moiety).
Names & identifiers
- Preferred name
- Lurtotecan Dihydrochloride
- IUPAC
- (18S)-18-ethyl-18-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-6,9,20-trioxa-13,24-diazahexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3,5(10),11,13,15,17(22)-heptaene-19,23-dione;dihydrochloride
- English name
- Lurtotecan hydrochloride
- Molecular formula
- C28H32Cl2N4O6
- Molecular weight
- 591.48288
Names & synonyms
LURTOTECAN DIHYDROCHLORIDE155773-58-3Lurtotecan HClGI 147211CLurtotecan dihydrochloride [USAN]GI147211CUNII-S31P37BX03S31P37BX03GI-147211CDTXSID40165965Lurtotecan dihydrochloride (USAN)11H-1,4-Dioxino(2,3-g)pyrano(3',4':6,7)indolizino(1,2-b)quinoline-9,12(8H,14H)-dione, 8-ethyl-2,3-dihydro-8-hydroxy-15-((4-methyl-1-piperazinyl)methyl)-, dihydrochloride, (8S)-
Show more names
Lurtotecan hydrochloride
(8S)-8-Ethyl-2,3-dihydro-8-hydroxy-15-((4-methyl-1-piperazinyl)methyl)-11H-p-dioxino(2,3-g)pyrano(3',4':6,7)indolizino(1,2-b)quinoline-9,12(8H,14H)-dione dihydrochloride11H-1,4-Dioxino(2,3-g)pyrano(3',4':6,7)indolizino(1,2-b)quinoline-9,12(8H,14H)-dione, 8-ethyl-2,3-dihydro-8-hydroxy-15-((4-methyl-1-piperazinyl)methyl)-, dihydrochloride, (S)RefChem:154367DTXCID6088456(18S)-18-ethyl-18-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-6,9,20-trioxa-13,24-diazahexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3,5(10),11,13,15,17(22)-heptaene-19,23-dione;dihydrochlorideLurtotecan 2HClLurtotecan (dihydrochloride)orb1739035
Database identifiers
Properties
Computed structural properties
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 1,070
Physicochemical properties
- FDA UNII
- 31 P37BX03 · S31P37BX03
Chemistry & industry
Applications
UsesLurtotecan dihydrochloride (GI147211), a semisynthetic Camptothecin analog, is a topoisomerase I inhibitor. Lurtotecan dihydrochloride has anticancer effects[1].
Suppliers2 total
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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