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U 93385

CAT: 0013-GTR19209496-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209496-01Size:25 mg
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Description
U 93385
CAS Number
147145-16-2
Smiles
C (N) (=O) C1=C2[C@]3 ([C@] (N (CCC) CC3) (CCC2=CC=C1) [H]) [H]
Molecular Formula
C16H22N2O
Molecular Weight
258.36
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

U 93385

cis-isomer more active than trans-isomer; has good oral availability; structure given in first source

CAS Number147145-16-2
PubChem CID132792
IUPAC Name(3aR,9bS)-3-propyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indole-9-carboxamide
Molecular FormulaC16H22N2O
Molecular Weight258.36
XLogP2.4
Topological Polar Surface Area46.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count19
Formal Charge0
Complexity344
SMILES
CCCN1CC[C@@H]2[C@H]1CCC3=C2C(=CC=C3)C(=O)N
InChI
InChI=1S/C16H22N2O/c1-2-9-18-10-8-12-14(18)7-6-11-4-3-5-13(15(11)12)16(17)19/h3-5,12,14H,2,6-10H2,1H3,(H2,17,19)/t12-,14-/m1/s1
InChIKey
JSZBRMZCAIJCKB-TZMCWYRMSA-N
Chemical Structure
2D Structure
2D structure of U 93385
CAS: 147145-16-2
CID: 132792
Formula: C16H22N2O
MW: 258.36
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight258.36
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass258.173213330
Monoisotopic Mass258.173213330
Topological Polar Surface Area46.3 Ų
Heavy Atom Count19
Formal Charge0
Complexity344
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
HY-106928U 93385

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