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Vincristine

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Vincristine / CAS : 57-22-7

Appearance solid UN 1544
HS 0 DG Class 6.1(a)
Synonyms 22-Oxovincaleukoblastine; Leurocristine; Vinkristin; Vincrystine; Leucristine; Vincristin; Vincristina; rel-Vincristine; Vincristinum; Tecnocris; Kyocristine; Vincristine (INN); VIN; Vincrstine; Oncotcs; (+)-Vincristine; Tecnocris (TN); LCR; VCR; Vincasar (1:1 Sulfate salt); Oncovin (1:1 Sulfate salt); Vincrex (1:1 Sulfate salt); Oncovin (Brand name); Leurocristine;NSC-67574;22-Oxovincaleukoblastine; 22-oxo-Vincaleukoblastine; Vincristine (Leurocristine); Vincaleukoblastine, 22-oxo- 22-Oxovincaleukoblastine; Methyl (1R,9R,10S,11R,12R,19R)-11-(Acetyloxy)-12-Ethyl-4-[(13S,15S,17S)-17-Ethyl-17-Hydroxy-13-(Methoxycarbonyl)-1,11-Diazatetracyclo[13.3.1.0^{4,12}.0^{5,10}]Nonadeca-4(12),5,7,9-Tetraen-13-yl]-8-Formyl-10-Hydroxy-5-Methoxy-8,16-Diazapentacyclo[10.6.1.0^{1,9}.0^{2,7}.0^{16,19}]Nonadeca-2(7),3,5,13-Tetraene-10-Carboxylate; Methyl (1R,9R,10S,11R,12R,19R)-11-Acetyloxy-12-Ethyl-4-[(13S,15S,17S)-17-Ethyl-17-Hydroxy-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
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Properties

Summary

Formula
C46H56N4O10
Molecular Mass
824.95800
Exact Mass
824.40000
PSA
171.17000
Logp
4.09420
IUPAC
methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(13S,15S,17S)-17-ethyl-17-hydroxy-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
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=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Antineoplastic Agents

Chemical and Physical Properties

Melting Point
211-216 ºC
Density
1.4g/cm3
Boiling Point
761.92°C (rough estimate)
Appearance
solid

Export information

HS Code
0
UN No.
1544
DG-Class
6.1(a)

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