Products for Research Use Only
RegisterLogin

Picraline

CAT: 0926-CAA67132-01Size: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0926-CAA67132-01Size:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
2671-32-1
MDL Number
MFCD26406067
Smiles
CC=C1CN2C3CC1C (C45C3 (NC6=CC=CC=C64) OC2C5) (COC (=O) C) C (=O) OC
Molecular Formula
C23H26N2O5
Molecular Weight
410.5 g/mol
Controlled
No

Chemical Information

CID 85074732

Picraline has been reported in Alstonia yunnanensis and Alstonia scholaris with data available.

CAS Number2671-32-1
PubChem CID85074732
IUPAC Namemethyl 19-(acetyloxymethyl)-14-ethylidene-18-oxa-2,12-diazahexacyclo[9.6.1.19,15.01,9.03,8.012,17]nonadeca-3,5,7-triene-19-carboxylate
Molecular FormulaC23H26N2O5
Molecular Weight410.5
XLogP1.8
Topological Polar Surface Area77.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity843
SMILES
CC=C1CN2C3CC1C(C45C3(NC6=CC=CC=C64)OC2C5)(COC(=O)C)C(=O)OC
InChI
InChI=1S/C23H26N2O5/c1-4-14-11-25-18-9-16(14)21(20(27)28-3,12-29-13(2)26)22-10-19(25)30-23(18,22)24-17-8-6-5-7-15(17)22/h4-8,16,18-19,24H,9-12H2,1-3H3
InChIKey
DXTJMQCRVFWNBD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 85074732
CAS: 2671-32-1
CID: 85074732
Formula: C23H26N2O5
MW: 410.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight410.5
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass410.18417193
Monoisotopic Mass410.18417193
Topological Polar Surface Area77.1 Ų
Heavy Atom Count30
Formal Charge0
Complexity843
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count6
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
FP74097-01Picrinine
VAA04506-01Picralinal
BBA12156-01Picrasin B
FBA31504-01Picrasin B acetate
SLB87234-012-Propanoyl-3-picoline
FE23106-015-Ethyl-2-picoline
CCA090683-Acetamido-4-picoline
FN55552-014-Nitro-3-picoline
FA45037-012-Amino-4-picoline
YEA506665-Formyl-2-methoxy-4-picoline

Alternative Products

CatalogName
MBS5762947Picraline

Popular Products