Products for Research Use Only
RegisterLogin

Asimilobine

CAT: 0926-GAA87121-03Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0926-GAA87121-03Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
6871-21-2
MDL Number
MFCD28385980
Smiles
COC1=C (C=C2CCNC3C2=C1C4=CC=CC=C4C3) O
Molecular Formula
C17H17NO2
Molecular Weight
267.32 g/mol
Controlled
No

Chemical Information

Asimilobine

Asimilobine has been reported in Phoebe formosana, Fissistigma oldhamii, and other organisms with data available.

CAS Number6871-21-2
PubChem CID25774982
IUPAC Name(6aS)-1-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol
Molecular FormulaC17H17NO2
Molecular Weight267.32
XLogP2.6
Topological Polar Surface Area41.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count20
Formal Charge0
Complexity361
SMILES
COC1=C(C=C2CCN[C@@H]3C2=C1C4=CC=CC=C4C3)O
InChI
InChI=1S/C17H17NO2/c1-20-17-14(19)9-11-6-7-18-13-8-10-4-2-3-5-12(10)16(17)15(11)13/h2-5,9,13,18-19H,6-8H2,1H3/t13-/m0/s1
InChIKey
NBDNEUOVIJYCGZ-ZDUSSCGKSA-N
Chemical Structure
2D Structure
2D structure of Asimilobine
CAS: 6871-21-2
CID: 25774982
Formula: C17H17NO2
MW: 267.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight267.32
XLogP32.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass267.125928785
Monoisotopic Mass267.125928785
Topological Polar Surface Area41.5 Ų
Heavy Atom Count20
Formal Charge0
Complexity361
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-N7512-01Asimilobine
TRC-A727450-2.5MGAsimilobine Hydrochloride

Popular Products