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SU 23397

CAT: 0931-T34731-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T34731-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
37603-15-9
Target
Others
Related Pathways
Others
Bioactivity
SU 23397 is a structurally unique neuroleptic agent.
Smiles
O=C1C2(N(CN1)C3=CC=CC=C3)CCN(C[C@@H]4OC=5C(C4)=CC(OC)=CC5)CC2
Molecular Formula
C23H27N3O3
Molecular Weight
393.48
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

SU-23397
CAS Number37603-15-9
PubChem CID90478601
IUPAC Name8-[[(2S)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Molecular FormulaC23H27N3O3
Molecular Weight393.5
XLogP3.4
Topological Polar Surface Area54
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity586
SMILES
COC1=CC2=C(C=C1)O[C@@H](C2)CN3CCC4(CC3)C(=O)NCN4C5=CC=CC=C5
InChI
InChI=1S/C23H27N3O3/c1-28-19-7-8-21-17(13-19)14-20(29-21)15-25-11-9-23(10-12-25)22(27)24-16-26(23)18-5-3-2-4-6-18/h2-8,13,20H,9-12,14-16H2,1H3,(H,24,27)/t20-/m0/s1
InChIKey
QSTYMRMEJNQSJW-FQEVSTJZSA-N
Chemical Structure
2D Structure
2D structure of SU-23397
CAS: 37603-15-9
CID: 90478601
Formula: C23H27N3O3
MW: 393.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight393.5
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass393.20524173
Monoisotopic Mass393.20524173
Topological Polar Surface Area54 Ų
Heavy Atom Count29
Formal Charge0
Complexity586
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

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