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Substance Name: Vincristine sulfate, mixture with doxorubicin hydrochloride, bleomycin sulfate and dacarbazine
RN: 82839-23-4
InChIKey: XQMPIRDXIVMATP-QJRDVZBESA-O

Molecular Weight

  • 3198.8556
 
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Names and Synonyms

Results Name

  • Vincristine sulfate, mixture with doxorubicin hydrochloride, bleomycin sulfate and dacarbazine

Synonym

  • Vincristine sulfate, mixture with doxorubicin hydrochloride, bleomycin sulfate and dacarbazine

Systematic Name

  • Vincaleukoblastine, 22-oxo-, sulfate (1:1) (salt), mixt. with (8S-cis)-10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)- 7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5,12- naphthacenedione hydrochloride, bleomycin sulfate and 5-(3,3-dimethyl-1-triazenyl)-1H-imidazole-4-carboxamide

Registry Numbers

CAS Registry Number

  • 82839-23-4

System Generated Number

  • 0082839234

Structure Descriptors

InChI

1S/C55H83N17O21S3.C46H56N4O10.C27H29NO11.C6H10N6O.ClH.2H2O4S/c1-20-33(69-46(72-44(20)58)25(12-31(57)76)64-13-24(56)45(59)82)50(86)71-35(41(26-14-61-19-66-26)91-54-43(39(80)37(78)28(16-73)90-54)92-53-40(81)42(93-55(60)88)38(79)29(17-74)89-53)51(87)67-22(3)36(77)21(2)47(83)70-34(23(4)75)49(85)63-10-8-32-68-27(18-94-32)52-65-15-30(95-52)48(84)62-9-7-11-96(5)6;1-7-42(55)22-28-23-45(40(53)58-5,36-30(14-18-48(24-28)25-42)29-12-9-10-13-33(29)47-36)32-20-31-34(21-35(32)57-4)50(26-51)38-44(31)16-19-49-17-11-15-43(8-2,37(44)49)39(60-27(3)52)46(38,56)41(54)59-6;1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34;1-12(2)11-10-6-4(5(7)13)8-3-9-6;;2*1-5(2,3)4/h14-15,18-19,21-25,28-29,34-43,53-54,64,73-75,77-81H,7-13,16-17,56H2,1-6H3,(H13-,57,58,59,60,61,62,63,66,67,69,70,71,72,76,82,83,84,85,86,87,88);9-13,15,20-21,26,28,37-39,47,55-56H,7-8,14,16-19,22-25H2,1-6H3;3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3;3,11H,1-2H3,(H2,7,13);1H;2*(H2,1,2,3,4)/p+1/b;;;10-6-;;;/t21-,22+,23+,24-,25-,28-,29+,34+,35+,36-,37+,38+,39-,40-,41-,42+,43-,53-,54-;28-,37-,38+,39+,42-,43+,44+,45-,46-;10-,13-,15-,17-,22?,27-;;;;/m000..../s1

InChIKey

XQMPIRDXIVMATP-QJRDVZBESA-O

Smiles

CC[C@@]1(C[C@H]2C[C@@](c3c(c4ccccc4[nH]3)CCN(C2)C1)(c5cc6c(cc5OC)N([C@@H]7[C@]68CCN9[C@H]8[C@@](C=CC9)([C@H]([C@@]7(C(=O)OC)O)OC(=O)C)CC)C=O)C(=O)OC)O.Cc1c(nc(nc1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@H]([C@H](c2c[nH]cn2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@H]4[C@H]([C@@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@H]([C@@H](C)O)C(=O)NCCc5nc(cs5)c6ncc(s6)C(=O)NCCC[S+](C)C)O.C[C@H]1C([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)CO)O)N)O.CN(C)N/N=C\1/C(=NC=N1)C(=O)N.OS(=O)(=O)O.OS(=O)(=O)O.Cl