CAS RN: 1188265-43-1

Midodrine-d6, Hydrochloride

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  • Product code: starshine_CAS1188265-43-1
  • Purity/Analytical Methods: >99.0%
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1188265-43-1 / 2-amino-N-[2-[2,5-bis(trideuteriomethoxy)phenyl]-2-hydroxyethyl]acetamide;hydrochloride

MIDODRINE HYDROCHLORIDE | Midodrine HCL | Pro-Amatine

Standard CAS: 1188265-43-1 Multi CAS: Yes

Basic Information

CAS
1188265-43-1
Multi CAS
Yes
Molecular Formula
C12H19ClN2O4
Molecular Weight
296.780000
Exact Mass
296.140995
SMILES
[2H]C([2H])([2H])OC1=CC(=C(C=C1)OC([2H])([2H])[2H])C(CNC(=O)CN)O.Cl
InChI
InChI=1S/C12H18N2O4.ClH/c1-17-8-3-4-11(18-2)9(5-8)10(15)7-14-12(16)6-13;/h3-5,10,15H,6-7,13H2,1-2H3,(H,14,16);1H/i1D3,2D3;
InChIKey
MGCQZNBCJBRZDT-TXHXQZCNSA-N
Synonyms
MIDODRINE HYDROCHLORIDE Midodrine HCL Pro-Amatine ProAmatine Hipertan

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
3
Molar refractivity
73.82
TPSA
93.81

LogP / Solubility

WLOGP
0.23
MLOGP
0.22
XLogP3
0.23
Consensus LogP
0.23
Log S (ESOL)
-1.63
Class (ESOL)
Soluble
Log S (Ali)
-2.11
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.46
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.33

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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