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Indisetron

CAT: 1596-AR-I01484-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-I01484-02Size:25 Units
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CAS Number
141549-75-9
Synonyms
N- ((1R,5S,7s) -3,9-dimethyl-3,9-diazabicyclo[3.3.1]nonan-7-yl) -1H-indazole-3-carboxamide; N-[ (7-endo) -3,9-Dimethyl-3,9-diazabicyclo[3.3.1]non-7-yl]-1H-indazole-3-carboxamide; endo-N- (3,9-Dimethyl-3,9-diazabicyclo[3.3.1]non-7-yl) -1H-indazole-3-carboxamide
Molecular Formula
C17H23N5O
Molecular Weight
313.41
API Name
Indisetron

Chemical Information

Indisetron

Indisetron is a member of indazoles and an aromatic amide.

CAS Number141549-75-9
PubChem CID178039
IUPAC NameN-[(1R,5S)-3,9-dimethyl-3,9-diazabicyclo[3.3.1]nonan-7-yl]-1H-indazole-3-carboxamide
Molecular FormulaC17H23N5O
Molecular Weight313.4
XLogP1.7
Topological Polar Surface Area64.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity442
SMILES
CN1C[C@H]2CC(C[C@@H](C1)N2C)NC(=O)C3=NNC4=CC=CC=C43
InChI
InChI=1S/C17H23N5O/c1-21-9-12-7-11(8-13(10-21)22(12)2)18-17(23)16-14-5-3-4-6-15(14)19-20-16/h3-6,11-13H,7-10H2,1-2H3,(H,18,23)(H,19,20)/t11?,12-,13+
InChIKey
MHNNVDILNTUWNS-YHWZYXNKSA-N
Chemical Structure
2D Structure
2D structure of Indisetron
CAS: 141549-75-9
CID: 178039
Formula: C17H23N5O
MW: 313.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight313.4
XLogP31.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass313.19026037
Monoisotopic Mass313.19026037
Topological Polar Surface Area64.3 Ų
Heavy Atom Count23
Formal Charge0
Complexity442
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

Alternative Products

CatalogName
TRC-I532500-1MGIndisetron
GTR19197477-01Indisetron Dihydrochloride
HY-109543AIndisetron (dihydrochloride)

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