Rizatriptan N10-Oxide-d6

CAT: 0024-sc-472577Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-472577Size:1 mg

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CAS Number

1261392-57-7

Chemical Information

Rizatriptan N-oxide

CAS Number	1261392-57-7
PubChem CID	10069964
IUPAC Name	N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine oxide
Molecular Formula	C15H19N5O
Molecular Weight	285.34
XLogP	1.5
Topological Polar Surface Area	64.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	21
Formal Charge	0
Complexity	351

SMILES

C[N+](C)(CCC1=CNC2=C1C=C(C=C2)CN3C=NC=N3)[O-]

InChI

InChI=1S/C15H19N5O/c1-20(2,21)6-5-13-8-17-15-4-3-12(7-14(13)15)9-19-11-16-10-18-19/h3-4,7-8,10-11,17H,5-6,9H2,1-2H3

InChIKey

DQTBNOJGXNZYDG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1261392-57-7

CID: 10069964

Formula: C15H19N5O

MW: 285.34

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	285.34
XLogP3	1.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	285.15896025
Monoisotopic Mass	285.15896025
Topological Polar Surface Area	64.6 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	351
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-208312	Rizatriptan N10-Oxide
sc-484979	N10-Monodesmethyl N10-Benzyl Rizatriptan
sc-212338	N10-Monodesmethyl Rizatriptan
sc-487768	N10-Monodesmethyl Rizatriptan Benzoate
sc-219309	N10-Monodesmethyl Rizatriptan-d3
sc-491428	Iso rizatriptan-d6
sc-219984	Rizatriptan-d6 Benzoate
sc-498786	Dimepranol-d6 N-Oxide
sc-474996	Sumatriptan-d6 N-Oxide
sc-478171	Netupitant N-Oxide-d6

Catalog	Name
AR-R11217-01	Rizatriptan EP Impurity H N10-d6 (Rizatriptan N10-Oxide-d6)
TRC-R545010-25MG	Rizatriptan N10-Oxide
CS-T-61180	Rizatriptan-d6-N-Oxide
460282	N10-Monodesmethyl N10-Benzyl Rizatriptan
282938-01	N10-Monodesmethyl rizatriptan
460281	N10-Didesmethyl Rizatriptan
460280	N10-Didesmethyl N10-Benzyl Rizatriptan
HY-132432S-01	N10-Monodesmethyl Rizatriptan-d3
460283	N10-Monodesmethyl Rizatriptan Benzoate
AR-R01864-01	Rizatriptan-d6 Benzoate