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CAS 19153-87-8 Dextrorphan -D-O-Glucuronide molecular structure lightbox
CAS RN: 19153-87-8

Dextrorphan -D-O-Glucuronide

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250807 1mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS19153-87-8
  • Purity/Analytical Methods: >99.0%
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19153-87-8 / 3,4,5-trihydroxy-6-[(17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl)oxy]oxane-2-carboxylic acid

Standard CAS: 19153-87-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19153-87-8
Multi CAS
No
Molecular Formula
C23H31NO7
Molecular Weight
433.500000
Exact Mass
433.210052
SMILES
CN1CCC23CCCCC2C1CC4=C3C=C(C=C4)OC5C(C(C(C(O5)C(=O)O)O)O)O
InChI
InChI=1S/C23H31NO7/c1-24-9-8-23-7-3-2-4-14(23)16(24)10-12-5-6-13(11-15(12)23)30-22-19(27)17(25)18(26)20(31-22)21(28)29/h5-6,11,14,16-20,22,25-27H,2-4,7-10H2,1H3,(H,28,29)
InChIKey
YQAUTKINOXBFCA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
6
Fraction Csp3
0.7
Rotatable bonds
3
H-bond acceptors
7
H-bond donors
4
Molar refractivity
109.76
TPSA
119.69

LogP / Solubility

WLOGP
0.65
MLOGP
0.6
XLogP3
-0.7
Consensus LogP
0.18
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.58
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.37
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.91

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
9.5

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