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Vindesine Sulfate

CAT: 1299-RM-V091400-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-V091400-02Size:25 mg
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CAS Number
59917-39-4
Synonyms
(5S,7R,9S) -methyl 9- ((3aR,3a1R,4R,5S,5aR,10bR) -5-carbamoyl-3a-ethyl-4,5-dihydroxy-8-methoxy-6-methyl-3a,3a1,4,5,5a,6,11,12-octahydro-1H-indolizino[8,1-cd]carbazol-9-yl) -5-ethyl-5-hydroxy-2,4,5,6,7,8,9,10-octahydro-1H-3,7-methano[1]azacycloundecino[5,4-b]i
Molecular Formula
C43H57N5O11S
Molecular Weight
852
Target Alternative Name
Vindesine
Product Name Synonym
(5S,7R,9S) -methyl 9- ((3aR,3a1R,4R,5S,5aR,10bR) -5-carbamoyl-3a-ethyl-4,5-dihydroxy-8-methoxy-6-methyl-3a,3a1,4,5,5a,6,11,12-octahydro-1H-indolizino[8,1-cd]carbazol-9-yl) -5-ethyl-5-hydroxy-2,4,5,6,7,8,9,10-octahydro-1H-3,7-methano[1]azacycloundecino[5,4-b]i

Chemical Information

Vindesine Sulfate

Vindesine sulfate is an alkaloid sulfate salt. It has a role as an antineoplastic agent. It is functionally related to a vindesine.

CAS Number59917-39-4
PubChem CID43116
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;sulfuric acid
Molecular FormulaC43H57N5O11S
Molecular Weight852.0
Topological Polar Surface Area248
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count14
Rotatable Bond Count7
Heavy Atom Count60
Formal Charge0
Complexity1650
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.OS(=O)(=O)O
InChI
InChI=1S/C43H55N5O7.H2O4S/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;1-5(2,3)4/h8-12,14,19-20,25,34-36,45,49,52-53H,6-7,13,15-18,21-24H2,1-5H3,(H2,44,50);(H2,1,2,3,4)/t25-,34+,35-,36-,39+,40-,41-,42+,43+;/m1./s1
InChIKey
COFJBSXICYYSKG-FJFFLIEUSA-N
Chemical Structure
2D Structure
2D structure of Vindesine Sulfate
CAS: 59917-39-4
CID: 43116
Formula: C43H57N5O11S
MW: 852.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight852.0
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count14
Rotatable Bond Count7
Exact Mass851.37752882
Monoisotopic Mass851.37752882
Topological Polar Surface Area248 Ų
Heavy Atom Count60
Formal Charge0
Complexity1650
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS3614220-01Vindesine sulfate
HY-129071-01Vindesine (sulfate)
291927-01Vindesine sulfate salt
HY-129071RVindesine (sulfate) (Standard)
BV164524Vindesine sulfate - Bio-X TM
MBS6107671-01Vindesine Sulfate Salt (LY-099094, Eldisine, Fildesin)
HY-16514Vindesine

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