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CAS 1190021-64-7 Naratriptan-d3 Hydrochloride molecular structure lightbox
CAS RN: 1190021-64-7

Naratriptan-d3 Hydrochloride

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Batchno.20251221 1mg / 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1190021-64-7
  • Purity/Analytical Methods: >99.0%
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1190021-64-7 / N-methyl-2-[3-[1-(trideuteriomethyl)piperidin-4-yl]-1H-indol-5-yl]ethanesulfonamide;hydrochloride

Naratriptan-d3 Hydrochloride | Naratriptan D3 Hydrochloride | Naratriptan (D3 Hydrochloride)

Standard CAS: 1190021-64-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1190021-64-7
Multi CAS
Yes
Molecular Formula
C17H26ClN3O2S
Molecular Weight
374.900000
Exact Mass
374.162256
SMILES
[2H]C([2H])([2H])N1CCC(CC1)C2=CNC3=C2C=C(C=C3)CCS(=O)(=O)NC.Cl
InChI
InChI=1S/C17H25N3O2S.ClH/c1-18-23(21,22)10-7-13-3-4-17-15(11-13)16(12-19-17)14-5-8-20(2)9-6-14;/h3-4,11-12,14,18-19H,5-10H2,1-2H3;1H/i2D3;
InChIKey
AWEZYKMQFAUBTD-MUTAZJQDSA-N
Synonyms
Naratriptan-d3 Hydrochloride Naratriptan D3 Hydrochloride Naratriptan (D3 Hydrochloride) N-methyl-2-[3-[1-(trideuteriomethyl)piperidin-4-yl]-1H-indol-5-yl]ethanesulfonamide;hydrochloride N-Methyl-d3-2-[3-(1-methyl-4-piperidyl)-1H-indol-5-yl]-ethanesulfonamide Hydrochloride; Naramig-d3; Amerge-d3.

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
9
Fraction Csp3
0.53
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
101.57
TPSA
65.2

LogP / Solubility

WLOGP
2.49
MLOGP
2.21
XLogP3
2.49
Consensus LogP
2.4
Log S (ESOL)
-3.66
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.41
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.74
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.22

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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