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Vindesine

CAT: 0931-TN2299Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-TN2299Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
53643-48-4
Target
Others
Related Pathways
Others
Bioactivity
Vindesine is a microtubule inhibitor and widely used to treat malignancies. Vindesine neuropathy seems to be the cause of the patient's neurological symptoms.
Smiles
C(C)[C@@]12[C@]3([C@]4(C=5C(N(C)[C@]4([C@](C(N)=O)(O)[C@@H]1O)[H])=CC(OC)=C(C5)[C@]6(C(OC)=O)C7=C(C=8C(N7)=CC=CC8)CC[N@]9C[C@@](C6)(C[C@](CC)(O)C9)[H])CCN3CC=C2)[H]
Molecular Formula
C43H55N5O7
Molecular Weight
753.93
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Vindesine

Vindesine is a primary carboxamide, a methyl ester, a tertiary alcohol, a vinca alkaloid, an organic heterotetracyclic compound, an organic heteropentacyclic compound and a tertiary amino compound. It has a role as an antineoplastic agent. It is functionally related to a vincaleukoblastine.

CAS Number53643-48-4
PubChem CID40839
IUPAC Namemethyl (13S,15S,17S)-13-[(1R,9R,10S,11R,12R,19R)-10-carbamoyl-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene-13-carboxylate
Molecular FormulaC43H55N5O7
Molecular Weight753.9
XLogP2.7
Topological Polar Surface Area165
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Heavy Atom Count55
Formal Charge0
Complexity1570
SMILES
CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)N)O)O)CC)OC)C(=O)OC)O
InChI
InChI=1S/C43H55N5O7/c1-6-39(52)21-25-22-42(38(51)55-5,33-27(13-17-47(23-25)24-39)26-11-8-9-12-30(26)45-33)29-19-28-31(20-32(29)54-4)46(3)35-41(28)15-18-48-16-10-14-40(7-2,34(41)48)36(49)43(35,53)37(44)50/h8-12,14,19-20,25,34-36,45,49,52-53H,6-7,13,15-18,21-24H2,1-5H3,(H2,44,50)/t25-,34+,35-,36-,39+,40-,41-,42+,43+/m1/s1
InChIKey
HHJUWIANJFBDHT-KOTLKJBCSA-N
Chemical Structure
2D Structure
2D structure of Vindesine
CAS: 53643-48-4
CID: 40839
Formula: C43H55N5O7
MW: 753.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight753.9
XLogP32.7
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass753.41014911
Monoisotopic Mass753.41014911
Topological Polar Surface Area165 Ų
Heavy Atom Count55
Formal Charge0
Complexity1570
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
T2773-01Vindoline

Alternative Products

CatalogName
HY-16514Vindesine
MBS3614220-01Vindesine sulfate
HY-129071-01Vindesine (sulfate)
291927-01Vindesine sulfate salt
AR-V06714-01Vindesine Impurity 1
AR-V01463-01Vindesine EP Impurity A
HY-129071RVindesine (sulfate) (Standard)

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