Leurosine Sulfate

CAT: 0572-TRC-L330800-5MGSize: 5 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-L330800-5MGSize:5 mg

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CAS Number

54081-68-4

Hazard Statement

No Data Available

Smiles

CC[C@@]12CN3CCc4c([nH]c5ccccc45)[C@@](C[C@@H](C3)[C@@H]1O2)(C(=O)OC)c6cc7c(cc6OC)N(C)[C@H]8[C@](O)([C@H](OC(=O)C)[C@]9(CC)C=CCN%10CC[C@]78[C@H]9%10)C(=O)OC.CC[C@@]%11%12CN%13CCc%14c([nH]c%15ccccc%14%15)[C@@](C[C@@H](C%13)[C@@H]%11O%12)(C(=O)OC)c%16cc%17c(cc%16OC)N(C)[C@H]%18[C@](O)([C@H](OC(=O)C)[C@]%19(CC)C=CCN%20CC[C@]%17%18[C@H]%19%20)C(=O)OC.OS(=O)(=O)O

Molecular Formula

2 C46 H56 N4 O9 . H2 O4 S

Molecular Weight

1716

InChI

InChI=1S/2C46H56N4O9.H2O4S/c2*1-8-42-16-12-18-50-20-17-44(37(42)50)30-21-31(34(55-5)22-33(30)48(4)38(44)46(54,41(53)57-7)39(42)58-26(3)51)45(40(52)56-6)23-27-24-49(25-43(9-2)36(27)59-43)19-15-29-28-13-10-11-14-32(28)47-35(29)45;1-5(2,3)4/h2*10-14,16,21-22,27,36-39,47,54H,8-9,15,17-20,23-25H2,1-7H3;(H2,1,2,3,4)/t2*27-,36-,37-,38+,39+,42+,43+,44+,45-,46-;/m00./s1

Shipping Conditions

Room Temperature

Storage Conditions

-20°C

Chemical Information

Vinleurosine sulfate

CAS Number	54081-68-4
PubChem CID	72710665
IUPAC Name	bis(methyl (13S,15S,16R,18S)-13-[(1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-10-hydroxy-5-methoxy-10-methoxycarbonyl-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-18-ethyl-17-oxa-1,11-diazapentacyclo[13.4.1.04,12.05,10.016,18]icosa-4(12),5,7,9-tetraene-13-carboxylate);sulfuric acid
Molecular Formula	C92H114N8O22S
Molecular Weight	1716.0
Topological Polar Surface Area	376
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	28
Rotatable Bond Count	20
Heavy Atom Count	123
Formal Charge	0
Complexity	1830

SMILES

CC[C@]12CN3CCC4=C([C@](C[C@@H](C3)[C@H]1O2)(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)NC1=CC=CC=C41.CC[C@]12CN3CCC4=C([C@](C[C@@H](C3)[C@H]1O2)(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)NC1=CC=CC=C41.OS(=O)(=O)O

InChI

InChIKey

YCWXIQRLONXJLF-FOVAWKNMSA-N

Chemical Structure

2D Structure

CAS: 54081-68-4

CID: 72710665

Formula: C92H114N8O22S

MW: 1716.0

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	1716.0
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	28
Rotatable Bond Count	20
Exact Mass	1714.77683847
Monoisotopic Mass	1714.77683847
Topological Polar Surface Area	376 Å²
Heavy Atom Count	123
Formal Charge	0
Complexity	1830
Isotope Atom Count	0
Defined Atom Stereocenter Count	20
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	3
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
281229-01	Leurosine sulfate
YAA36092-01	Leurosine
IF23552-01	N-Formyl leurosine
RG-A261327-01	Leurosine discontinued see RM-V141805
AR-V06707-01	Vincristine EP Impurity F (Leurosine)
sc-212210	N-Formyl Leurosine (Vincristine Impurity G)
RM-V141805-01	Vinorelbine EP Impurity E; Vincristine EP Impurity F; Leurosine
D3727-28	Diphenyleneiodonium Sulfate (DPI Sulfate)
27428602-1g	Capastat sulfate (Capreomycin sulfate)
B8996-03	Butacaine Sulfate (Butyn Sulfate)

Leurosine Sulfate

Chemical Information

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