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Topotecan hydrochloride

CAT: 0931-T1174-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T1174-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
119413-54-6
Target
Apoptosis, Autophagy, Topoisomerase
Related Pathways
DNA Damage/DNA Repair, Apoptosis, Autophagy
Purity
0.9941
Bioactivity
Topotecan hydrochloride (NSC609699) is an antineoplastic agent used to treat ovarian cancer.
Smiles
Cl.CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(O)c(CN(C)C)c4cc3Cn1c2=O
Molecular Formula
C23H24ClN3O5
Molecular Weight
457.92
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Topotecan Hydrochloride

Topotecan hydrochloride is a pyranoindolizinoquinoline. It has a role as an antineoplastic agent and an EC 5.99.1.2 (DNA topoisomerase) inhibitor. It contains a topotecan.

CAS Number119413-54-6
PubChem CID60699
IUPAC Name(19S)-8-[(dimethylamino)methyl]-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione;hydrochloride
Molecular FormulaC23H24ClN3O5
Molecular Weight457.9
Topological Polar Surface Area103
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count32
Formal Charge0
Complexity867
SMILES
CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O.Cl
InChI
InChI=1S/C23H23N3O5.ClH/c1-4-23(30)16-8-18-20-12(9-26(18)21(28)15(16)11-31-22(23)29)7-13-14(10-25(2)3)19(27)6-5-17(13)24-20;/h5-8,27,30H,4,9-11H2,1-3H3;1H/t23-;/m0./s1
InChIKey
DGHHQBMTXTWTJV-BQAIUKQQSA-N
Chemical Structure
2D Structure
2D structure of Topotecan Hydrochloride
CAS: 119413-54-6
CID: 60699
Formula: C23H24ClN3O5
MW: 457.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight457.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass457.1404486
Monoisotopic Mass457.1404486
Topological Polar Surface Area103 Ų
Heavy Atom Count32
Formal Charge0
Complexity867
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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