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Vincaleukoblastine,3',4'-didehydro-4'-deoxy-(CAS No. 38390-45-3)

Vincaleukoblastine,3',4'-didehydro-4'-deoxy- C46H56N4O8 (cas 38390-45-3) Molecular Structure

38390-45-3 Structure

Identification and Related Records

【Name】
Vincaleukoblastine,3',4'-didehydro-4'-deoxy-
【CAS Registry number】
38390-45-3
【Synonyms】
(+)-Anhydrovinblastine
3',4'-Dehydroisoleurosine
3',4'-Dehydrovinblastine
3',4'-Didehydroisoleurosine
3',4'-Didehydrovinblastine
Anhydrovincaleukoblastine
F 81097
Anhydrovinblastine
【Molecular Formula】
C46H56N4O8 (Products with the same molecular formula)
【Molecular Weight】
792.96
【Inchi】
InChI=1/C46H56N4O8/c1-8-28-21-29-24-45(41(52)56-6,37-31(15-19-49(25-28)26-29)30-13-10-11-14-34(30)47-37)33-22-32-35(23-36(33)55-5)48(4)39-44(32)17-20-50-18-12-16-43(9-2,38(44)50)40(58-27(3)51)46(39,54)42(53)57-7/h10-14,16,21-23,29,38-40,47,54H,8-9,15,17-20,24-26H2,1-7H3/t29-,38-,39+,40+,43+,44?,45-,46-/m0/s1
【Canonical SMILES】
CCC1=CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC
【Isomers smiles】
CCC1=C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9
[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)
OC
【MOL File】
38390-45-3.mol

Chemical and Physical Properties

【Appearance】
white crystal power
【Density】
1.35 g/cm3
【Melting Point】
205-207°C
【Refractive Index】
1.67
【Computed Properties】
Molecular Weight:792.95884 [g/mol]
Molecular Formula:C46H56N4O8
XLogP3:4
H-Bond Donor:2
H-Bond Acceptor:11
Rotatable Bond Count:10
Exact Mass:792.409815
MonoIsotopic Mass:792.409815
Topological Polar Surface Area:134
Heavy Atom Count:58
Formal Charge:0
Complexity:1710
Isotope Atom Count:0
Defined Atom Stereocenter Count:7
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1

Safety and Handling

【Specification】

Anhydrovinblastine (38390-45-3) , also can be called for 3',4'-Anhydrovinblastine ; 3',4'-Didehydro-4'-deoxyvincaleukoblastine ; 3',4'-Dehydroisoleurosine , is a dental local anesthetic. It is the most widely used local anesthetic in a number of European countries and is available in many countries around the world. Anhydrovinblastine (38390-45-3), In dentistry, is used both for infiltration and block injections. And it is used for pain control.
It is not contraindicated in patients with sulfa allergies; there is no cross-allergenicity between articaine's sulfer-bearing thiophene ring and sulfonamides.

Supplier Location

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