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Topotecan-d5

CAT: 0572-TRC-T542503-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-T542503-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1133355-98-2
Synonyms
(4S)-10-[(Dimethylamino)methyl]-4-(ethyl-d5)-4,9-dihydroxy-1H-pyrano[3’,4’,6-7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione; NSC-609669-d5; SKF-104864A-d5; Hycamtin-d5;
Hazard Statement
Fatal if swallowed; UN number: UN2811; Packing Group: II
Smiles
[2H]C([2H])([2H])C([2H])([2H])[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5c(CN(C)C)c(O)ccc5nc34)C2=O
Molecular Formula
C23H18D5N3O5
Molecular Weight
426.48
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Topotecan-d5
CAS Number1133355-98-2
PubChem CID25241308
IUPAC Name(19S)-8-[(dimethylamino)methyl]-7,19-dihydroxy-19-(1,1,2,2,2-pentadeuterioethyl)-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
Molecular FormulaC23H23N3O5
Molecular Weight426.5
XLogP0.5
Topological Polar Surface Area103
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count31
Formal Charge0
Complexity867
SMILES
[2H]C([2H])([2H])C([2H])([2H])[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O
InChI
InChI=1S/C23H23N3O5/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/t23-/m0/s1/i1D3,4D2
InChIKey
UCFGDBYHRUNTLO-NTSVIFQKSA-N
Chemical Structure
2D Structure
2D structure of Topotecan-d5
CAS: 1133355-98-2
CID: 25241308
Formula: C23H23N3O5
MW: 426.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight426.5
XLogP30.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass426.19515457
Monoisotopic Mass426.19515457
Topological Polar Surface Area103 Ų
Heavy Atom Count31
Formal Charge0
Complexity867
Isotope Atom Count5
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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