Donitriptan 10mM * 1mL in DMSO

CAT: 0628-A13145-10mM-DSize: 10 mM x 1mL in DMSODry Ice: NoHazardous: No

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CAT#:0628-A13145-10mM-DSize:10 mM x 1mL in DMSO

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CAS Number

170912-52-4

Chemical Information

Donitriptan

Donitriptan is a small molecule drug. The usage of the INN stem '-triptan' in the name indicates that Donitriptan is a sumatriptan derivative serotonin (5HT1) receptor agonist. Donitriptan has a monoisotopic molecular weight of 403.2 Da.

CAS Number	170912-52-4
PubChem CID	197706
IUPAC Name	4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]benzonitrile
Molecular Formula	C23H25N5O2
Molecular Weight	403.5
XLogP	2.2
Topological Polar Surface Area	98.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	30
Formal Charge	0
Complexity	618

SMILES

C1CN(CCN1C2=CC=C(C=C2)C#N)C(=O)COC3=CC4=C(C=C3)NC=C4CCN

InChI

InChI=1S/C23H25N5O2/c24-8-7-18-15-26-22-6-5-20(13-21(18)22)30-16-23(29)28-11-9-27(10-12-28)19-3-1-17(14-25)2-4-19/h1-6,13,15,26H,7-12,16,24H2

InChIKey

SOHCKWZVTCTQBG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 170912-52-4

CID: 197706

Formula: C23H25N5O2

MW: 403.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	403.5
XLogP3	2.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	403.20082506
Monoisotopic Mass	403.20082506
Topological Polar Surface Area	98.4 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	618
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

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Alternative Products

Catalog	Name
MD-0025-2MG	Y27632 (10mM in DMSO)
BUP19121	Tetrahydrozoline Hydrochloride, 10mM (in DMSO)
BUP19033	Tetradecyltrimethylammonium bromide, 10mM (in DMSO)
BUP19963	(2S,3R,4S,5R) -2-Amino-3,4,5,6-tetrahydroxyhexanal hydrochloride, 10mM (in DMSO)
HY-106157-01	Donitriptan
T27196-01	Donitriptan Mesylate
MBS5773153	Donitriptan hydrochloride
HY-103091	Donitriptan (hydrochloride)
HY-106157A	Donitriptan (mesylate)

Donitriptan 10mM * 1mL in DMSO

Chemical Information

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