Vincristine N-oxide

Name: Vincristine N-oxide
SKU: ACM947527733
Rating: 5 (1 reviews)

CAS

947527-73-3

Catalog Number

ACM947527733

Category

Other Products

Molecular Weight

840.96

Molecular Formula

C₄₆H₅₆N₄O₁₁

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Specification

Synonyms

22-Oxo-vincaleukoblastine 6'-Oxide;

IUPAC Name

Vincristine N-Oxide

Canonical SMILES

CCC1(CC2CC(C3=C(CC[N+](C2)(C1)[O-])C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O

InChI Key

RMXAXRWGUNEVQR-PQWPLOBDSA-N

Appearance

Off-White Solid

Exact Mass

840.39500

What is the molecular formula of Vincristine N-oxide?

The molecular formula of Vincristine N-oxide is C46H56N4O11.

What are the synonyms for Vincristine N-oxide?

The synonyms for Vincristine N-oxide include 947527-73-3, DTXSID80858566, and PUBCHEM_71752950.

What is the molecular weight of Vincristine N-oxide?

The molecular weight of Vincristine N-oxide is 841.0 g/mol.

When was Vincristine N-oxide created?

Vincristine N-oxide was created on November 1, 2013.

When was Vincristine N-oxide last modified?

Vincristine N-oxide was last modified on December 30, 2023.

What is the IUPAC name of Vincristine N-oxide?

The IUPAC name of Vincristine N-oxide is methyl (1R,9R,10S,11S,12R,19R)-11-acetyloxy-12-ethyl-4-[(1S,13S,15S,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1-oxido-11-aza-1-azoniatetracyclo[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.

What is the InChI of Vincristine N-oxide?

The InChI of Vincristine N-oxide is InChI=1S/C46H56N4O11/c1-7-42(55)22-28-23-45(40(53)59-5,36-30(14-19-50(57,24-28)25-42)29-12-9-10-13-33(29)47-36)32-20-31-34(21-35(32)58-4)49(26-51)38-44(31)16-18-48-17-11-15-43(8-2,37(44)48)39(61-27(3)52)46(38,56)41(54)60-6/h9-13,15,20-21,26,28,37-39,47,55-56H,7-8,14,16-19,22-25H2,1-6H3/t28-,37+,38-,39+,42+,43-,44-,45+,46+,50+/m1/s1.

What is the InChIKey of Vincristine N-oxide?

The InChIKey of Vincristine N-oxide is RMXAXRWGUNEVQR-PQWPLOBDSA-N.

What is the Canonical SMILES of Vincristine N-oxide?

The Canonical SMILES of Vincristine N-oxide is CCC1(CC2CC(C3=C(CC[N+](C2)(C1)[O-])C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O.

What is the Isomeric SMILES of Vincristine N-oxide?

The Isomeric SMILES of Vincristine N-oxide is CC[C@@]1(C[C@@H]2C[C@@](C3=C(CC[N@+](C2)(C1)[O-])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.

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