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Vincristine Impurity 10

CAT: 1299-RM-V090310-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-V090310-01Size:10 mg
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CAS Number
1246812-06-5
Synonyms
Methyl (3aR,3a1R,4R,5S,5aR) -4-acetoxy-3a-ethyl-9- ((3S,5S,6R,7S,9S) -5-ethyl-5,6-dihydroxy-9- (methoxycarbonyl) -1,4,5,6,7,8,9,10-octahydro-2H-3,7-methano[1]azacycloundecino[5,4-b]indol-9-yl) -6-formyl-5-hydroxy-8-methoxy-3a,3a1,4,5,5a,6,11,12-octahydro-1H-indolizino[8,1-cd]carbazole-5-carboxylate
Molecular Formula
C46H56N4O11
Molecular Weight
840.97
Target Alternative Name
Vincristine
Product Name Synonym
Methyl (3aR,3a1R,4R,5S,5aR) -4-acetoxy-3a-ethyl-9- ((3S,5S,6R,7S,9S) -5-ethyl-5,6-dihydroxy-9- (methoxycarbonyl) -1,4,5,6,7,8,9,10-octahydro-2H-3,7-methano[1]azacycloundecino[5,4-b]indol-9-yl) -6-formyl-5-hydroxy-8-methoxy-3a,3a1,4,5,5a,6,11,12-octahydro-1H-indolizino[8,1-cd]carbazole-5-carboxylate

Chemical Information

3-Hydroxy-N-formyl Leurosidine
CAS Number1246812-06-5
PubChem CID131667953
IUPAC Namemethyl (9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(13S,15S,16R,17S)-17-ethyl-16,17-dihydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-8-formyl-10-hydroxy-5-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate
Molecular FormulaC46H56N4O11
Molecular Weight841.0
XLogP1.8
Topological Polar Surface Area191
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count13
Rotatable Bond Count10
Heavy Atom Count61
Formal Charge0
Complexity1790
SMILES
CC[C@@]1(CN2CCC3=C([C@](C[C@@H](C2)[C@H]1O)(C4=C(C=C5C(=C4)C67CCN8[C@H]6[C@@](C=CC8)([C@H]([C@@]([C@@H]7N5C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)NC9=CC=CC=C39)O
InChI
InChI=1S/C46H56N4O11/c1-7-42-15-11-17-49-19-16-44(37(42)49)30-20-31(34(58-4)21-33(30)50(25-51)38(44)46(57,41(55)60-6)39(42)61-26(3)52)45(40(54)59-5)22-27-23-48(24-43(56,8-2)36(27)53)18-14-29-28-12-9-10-13-32(28)47-35(29)45/h9-13,15,20-21,25,27,36-39,47,53,56-57H,7-8,14,16-19,22-24H2,1-6H3/t27-,36+,37-,38+,39+,42+,43-,44?,45-,46-/m0/s1
InChIKey
RSSDLUSJZSSBLJ-PYRLJOQVSA-N
Chemical Structure
2D Structure
2D structure of 3-Hydroxy-N-formyl Leurosidine
CAS: 1246812-06-5
CID: 131667953
Formula: C46H56N4O11
MW: 841.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight841.0
XLogP31.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count13
Rotatable Bond Count10
Exact Mass840.39455862
Monoisotopic Mass840.39455862
Topological Polar Surface Area191 Ų
Heavy Atom Count61
Formal Charge0
Complexity1790
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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AR-V01479-01Vincristine Impurity
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CS-O-63495Vincristine Impurity J
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AR-V01474-01Vincristine Impurity G
AR-V06709-01Vincristine Impurity 2
AR-V01473-01Vincristine Impurity D
CS-P-08385Vincristine EP impurity A
AR-V01477-01Vincristine Impurity K
CS-O-63490Deacetoxy Vincristine Impurity P

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