Products for Research Use Only
RegisterLogin

Vinorelbine N'b-Oxide

CAT: 0572-TRC-V315100-2.5MGSize: 2.5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0572-TRC-V315100-2.5MGSize:2.5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
74075-34-6
Synonyms
(2β,3β,4β,5α,12R,19α)-4-(acetyloxy)-6,7-didehydro-15-[(2R,6R,8S)-4-ethyl-1,3,6,7,8,9-hexahydro-8-(methoxycarbonyl)-2-oxido-2,6-methano-2H-azecino[4,3-b]indol-8-yl]-3-hydroxy-16-methoxy-1-methyl-Aspidospermidine-3-carboxylic Acid Methyl Ester, 3',4'-Didehydro-4'-deoxy-C'-norvincaleukoblastine-6'-oxide; 5'-Noranhydrovinblastine Nb-oxide; C'-Noranhydrovincaleukoblastine Nb-oxide; Vinorelbine N-oxide; Vinorelbine Impurity D (EP)
Hazard Statement
May cause an allergic skin reaction.
Purity
>95% (HPLC)
Smiles
[H]C(C=C(CC)C1)(C[C@]2(C(C(OC)=C3)=CC4=C3N(C)[C@@]5([H])[C@@](O)(C(OC)=O)[C@H](OC(C)=O)[C@@]6(CC)[C@@]7([H])[C@]54CCN7CC=C6)C(OC)=O)C[N@@]1([O-])[CH+]C8=C2NC9=C8C=CC=C9
Molecular Formula
C45H54N4O9
Molecular Weight
794.93
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Vinorelbine N'b-Oxide
CAS Number74075-34-6
PubChem CID169447694
IUPAC Namemethyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(1S,12R)-16-ethyl-12-methoxycarbonyl-1-oxido-1,10-diazoniatetracyclo[12.3.1.03,11.04,9]octadeca-2,4,6,8,10,15-hexaen-12-yl]-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate
Molecular FormulaC45H53N4O9+
Molecular Weight793.9
XLogP3.9
Topological Polar Surface Area147
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count10
Heavy Atom Count58
Formal Charge1
Complexity1860
SMILES
CCC1=CC2C[C@](C3=[NH+]C4=CC=CC=C4C3=C[N@+](C2)(C1)[O-])(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC
InChI
InChI=1S/C45H52N4O9/c1-8-27-19-28-22-44(40(51)56-6,36-30(25-49(54,23-27)24-28)29-13-10-11-14-33(29)46-36)32-20-31-34(21-35(32)55-5)47(4)38-43(31)16-18-48-17-12-15-42(9-2,37(43)48)39(58-26(3)50)45(38,53)41(52)57-7/h10-15,19-21,25,28,37-39,53H,8-9,16-18,22-24H2,1-7H3/p+1/t28?,37-,38+,39+,42+,43+,44+,45-,49+/m0/s1
InChIKey
YOYFFCGVVPCKTG-NTGMMZOJSA-O
Chemical Structure
2D Structure
2D structure of Vinorelbine N'b-Oxide
CAS: 74075-34-6
CID: 169447694
Formula: C45H53N4O9+
MW: 793.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight793.9
XLogP33.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count10
Exact Mass793.38125428
Monoisotopic Mass793.38125428
Topological Polar Surface Area147 Ų
Heavy Atom Count58
Formal Charge1
Complexity1860
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
TRC-V315010-10MGVinorelbine N-Methiodide
TRC-V315000-25MGVinorelbine Bitartrate
TRC-V315000-10MGVinorelbine Bitartrate
TRC-V315000-100MGVinorelbine Bitartrate
TRC-D199025-50MGDesacetyl Vinorelbine Bitartrate
TRC-V315002-1MGVinorelbine-d3 Bitartrate
TRC-B399800-25MGBisabolol Oxide B
TRC-B399800-2.5MGBisabolol Oxide B
TRC-V314020-100MGVinblastine N'b-Oxide Maleic Acid Salt
TRC-D199025-100MGDesacetyl Vinorelbine Bitartrate

Alternative Products

CatalogName
ZCA07534-01Vinorelbine N'B-oxide
AR-V06030-01Vinorelbine N-Oxide
167060Vinorelbine N'b-Oxide Sulfate Salt
AR-V01482-01Vinorelbine N-Oxide Sulfate
PDA36896-01Vinorelbine N-methiodide
AR-V01483-01Vinorelbine EP Impurity B
MBS5782253Leurosidine N'b-oxide
N2250-5.1Vinorelbine

Popular Products