Products for Research Use Only
RegisterLogin

Echitamine

CAT: 0931-TN3917Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-TN3917Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
6871-44-9
Target
Others
Related Pathways
Others
Bioactivity
Echitamine chloride possesses anti-tumour activity in-vitro and in-vivo.
Smiles
COC(=O)[C@]1(CO)[C@H]2C[C@H](O)[C@@]34Nc5ccccc5[C@@]13CC[N+]4(C)C\C2=C\C |THB:10:9:4.19:22.24.25|
Molecular Formula
C22H29N2O4
Molecular Weight
385.483
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Echitamine

echitamine has been reported in Alstonia scholaris, Alstonia boonei, and Alstonia rostrata with data available.

CAS Number6871-44-9
PubChem CID124841315
IUPAC Namemethyl (1S,9R,10S,12S,13E,15S,18R)-13-ethylidene-10-hydroxy-18-(hydroxymethyl)-15-methyl-8-aza-15-azoniapentacyclo[10.5.1.01,9.02,7.09,15]octadeca-2,4,6-triene-18-carboxylate
Molecular FormulaC22H29N2O4+
Molecular Weight385.5
XLogP0.7
Topological Polar Surface Area78.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge1
Complexity740
SMILES
C/C=C\1/C[N@@+]2(CC[C@@]34[C@@]2([C@H](C[C@@H]1[C@@]3(CO)C(=O)OC)O)NC5=CC=CC=C45)C
InChI
InChI=1S/C22H29N2O4/c1-4-14-12-24(2)10-9-21-15-7-5-6-8-17(15)23-22(21,24)18(26)11-16(14)20(21,13-25)19(27)28-3/h4-8,16,18,23,25-26H,9-13H2,1-3H3/q+1/b14-4-/t16-,18-,20-,21-,22-,24-/m0/s1
InChIKey
AFJPGVUCVDCFPM-BBFZNYENSA-N
Chemical Structure
2D Structure
2D structure of Echitamine
CAS: 6871-44-9
CID: 124841315
Formula: C22H29N2O4+
MW: 385.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight385.5
XLogP30.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass385.21273241
Monoisotopic Mass385.21273241
Topological Polar Surface Area78.8 Ų
Heavy Atom Count28
Formal Charge1
Complexity740
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
TN3914-01Echinatine
T124507-01Echiumine
T82509-01Echitaminic acid
TN3915-01Echinatine N-oxide

Alternative Products

CatalogName
GTR19181584Echitamine
GTR19220202-01Echitamine chloride
HY-N3797AEchitamine (chloride)

Popular Products