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Vinorelbine for peak identification B

Product Code

EPY0001939

CAS Number

125317-39-7

Product Format

Mixture

Matrix

Molecular Formula

C45 H54 N4 O8 . 2 C4 H6 O6

Molecular Weight

1079.11

Research/Therapeutic Area

Pack Size:

10 mg

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Product Information

Analyte Name

Vinorelbine Ditartrate

CAS Number

125317-39-7

Molecular Formula

C45 H54 N4 O8 . 2 C4 H6 O6

Molecular Weight

1079.11

Accurate Mass

1078.427

Smiles

CCC1=C[C@@H]2CN(C1)Cc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[C@H]7[C@](O)([C@H](OC(=O)C)[C@]8(CC)C=CCN9CC[C@]67[C@H]89)C(=O)OC.O[C@H]([C@@H](O)C(=O)O)C(=O)O.O[C@H]([C@@H](O)C(=O)O)C(=O)O

InChI

InChI=1S/C45H54N4O8.2C4H6O6/c1-8-27-19-28-22-44(40(51)55-6,36-30(25-48(23-27)24-28)29-13-10-11-14-33(29)46-36)32-20-31-34(21-35(32)54-5)47(4)38-43(31)16-18-49-17-12-15-42(9-2,37(43)49)39(57-26(3)50)45(38,53)41(52)56-7, 2*5-1(3(7)8)2(6)4(9)10/h10-15,19-21,28,37-39,46,53H,8-9,16-18,22-25H2,1-7H3, 2*1-,2-/m011/s1, 2*1-2,5-6H,(H,7,8)(H,9,10)/t28-,37-,38+,39+,42+,43+,44-,45-

IUPAC

Methyl (3aR,4R,5S,5aR,10bR,13aR)-4-(acetyloxy)-3a-ethyl-9-[(6R,8S)-4-ethyl-8-(methoxycarbonyl)-1,3,6,7,8,9-hexahydro-2,6-methano-2H-azacyclodecino[4,3-b]indol-8-yl]-5-hydroxy-8-methoxy-6-methyl-3a,4,5,5a,6,11,12,13a-octahydro-1H-indolizino[8,1-cd]carbazole-5-carboxylate dihydrogen bis[(2R,3R)-2,3-dihydroxybutanedioate]

Storage Temperature

-80┬░C

Shipping Temperature

Dry ice

Country of Origin

FRANCE

Product Format

Mixture

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