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PD-102807

CAT: 0013-GTR19201025-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19201025-04Size:25 mg
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Description
PD 102807
CAS Number
23062-91-1
Product Name Alternative
PD-102807, PD 102807
Field of Research
Neuroscience
Purity
98.90% (May vary between batches)
Solubility
DMSO:120 mg/mL (305.77 mM)
Smiles
O=C (OCC) C=1C=2C (=CC=C3OC4C5=CC=C (OC) C=C5CCN4CC32) NC1C
Molecular Formula
C23H24N2O4
Molecular Weight
392.45
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Ethyl 3,6a,11,14-tetrahydro-9-methoxy-2-methyl-12H-isoquino(1,2-b)pyrrolo(3,2-f)(1,3)benzoxazine-1-carboxylate

LSM-1888 is an indolyl carboxylic acid.

CAS Number23062-91-1
PubChem CID4995951
IUPAC Nameethyl 17-methoxy-6-methyl-12-oxa-1,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),5,9,14(19),15,17-heptaene-5-carboxylate
Molecular FormulaC23H24N2O4
Molecular Weight392.4
XLogP3.9
Topological Polar Surface Area63.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity616
SMILES
CCOC(=O)C1=C(NC2=C1C3=C(C=C2)OC4C5=C(CCN4C3)C=C(C=C5)OC)C
InChI
InChI=1S/C23H24N2O4/c1-4-28-23(26)20-13(2)24-18-7-8-19-17(21(18)20)12-25-10-9-14-11-15(27-3)5-6-16(14)22(25)29-19/h5-8,11,22,24H,4,9-10,12H2,1-3H3
InChIKey
VDDUJINYXKGZLV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl 3,6a,11,14-tetrahydro-9-methoxy-2-methyl-12H-isoquino(1,2-b)pyrrolo(3,2-f)(1,3)benzoxazine-1-carboxylate
CAS: 23062-91-1
CID: 4995951
Formula: C23H24N2O4
MW: 392.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight392.4
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass392.17360725
Monoisotopic Mass392.17360725
Topological Polar Surface Area63.8 Ų
Heavy Atom Count29
Formal Charge0
Complexity616
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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