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CAS 203737-93-3 Istaroxime molecular structure lightbox
CAS RN: 203737-93-3

Istaroxime

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260521 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS203737-93-3
  • Purity/Analytical Methods: >99.0%
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203737-93-3 / (3E,5S,8R,9S,10R,13S,14S)-3-(2-aminoethoxyimino)-10,13-dimethyl-1,2,4,5,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-6,17-dione

Standard CAS: 203737-93-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
203737-93-3
Multi CAS
No
Molecular Formula
C21H32N2O3
Molecular Weight
360.500000
Exact Mass
360.241293
SMILES
C[C@]12CC/C(=N\OCCN)/C[C@@H]1C(=O)C[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C
InChI
InChI=1S/C21H32N2O3/c1-20-7-5-13(23-26-10-9-22)11-17(20)18(24)12-14-15-3-4-19(25)21(15,2)8-6-16(14)20/h14-17H,3-12,22H2,1-2H3/b23-13+/t14-,15-,16-,17+,20+,21-/m0/s1
InChIKey
MPYLDWFDPHRTEG-PAAYLBSLSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Fraction Csp3
0.86
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
99.57
TPSA
81.75

LogP / Solubility

WLOGP
3.11
MLOGP
2.75
XLogP3
1.5
Consensus LogP
2.45
Log S (ESOL)
-3.84
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.76
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.94
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.71

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6

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