[email protected]
CAS 1975-81-1 N-OMEGA-METHYLSEROTONIN OXALATE SALT molecular structure lightbox
CAS RN: 1975-81-1

N-OMEGA-METHYLSEROTONIN OXALATE SALT

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250817 25mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1975-81-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1975-81-1 / 3-[2-(methylamino)ethyl]-1H-indol-5-ol;oxalic acid

Standard CAS: 1975-81-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1975-81-1
Multi CAS
No
Molecular Formula
C13H16N2O5
Molecular Weight
280.280000
Exact Mass
280.105922
SMILES
CNCCC1=CNC2=C1C=C(C=C2)O.C(=O)(C(=O)O)O
InChI
InChI=1S/C11H14N2O.C2H2O4/c1-12-5-4-8-7-13-11-3-2-9(14)6-10(8)11;3-1(4)2(5)6/h2-3,6-7,12-14H,4-5H2,1H3;(H,3,4)(H,5,6)
InChIKey
DYOZWAJOUTVNAF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
9
Fraction Csp3
0.23
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
5
Molar refractivity
72.87
TPSA
122.65

LogP / Solubility

WLOGP
0.79
MLOGP
0.71
XLogP3
0.79
Consensus LogP
0.76
Log S (ESOL)
-2.21
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.43
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.5
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)
-3.87

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P264, P270, P280, P301+P317, P302+P352, P317, P321, P330, P362+P364, and P501 P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us