Products for Research Use Only
RegisterLogin

Tianeptine 100mg

CAT: 0628-A11598-100Size: 100 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0628-A11598-100Size:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1632032-53-1

Chemical Information

3-((4-Methylpiperazin-1-yl)carbonyl)-7-oxabicyclo(2.2.1)heptane-2-carboxylic acid

LB-100 is under investigation in clinical trial NCT03886662 (A Study of LB-100 in Patients With Low or Intermediate-1 Risk Myelodysplastic Syndromes (MDS)).

CAS Number1632032-53-1
PubChem CID45101433
IUPAC Name(1R,4S)-3-(4-methylpiperazine-1-carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Molecular FormulaC13H20N2O4
Molecular Weight268.31
XLogP-3
Topological Polar Surface Area70.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity392
SMILES
CN1CCN(CC1)C(=O)C2[C@@H]3CC[C@H](C2C(=O)O)O3
InChI
InChI=1S/C13H20N2O4/c1-14-4-6-15(7-5-14)12(16)10-8-2-3-9(19-8)11(10)13(17)18/h8-11H,2-7H2,1H3,(H,17,18)/t8-,9+,10?,11?/m0/s1
InChIKey
JUQMLSGOTNKJKI-IZUQBHJASA-N
Chemical Structure
2D Structure
2D structure of 3-((4-Methylpiperazin-1-yl)carbonyl)-7-oxabicyclo(2.2.1)heptane-2-carboxylic acid
CAS: 1632032-53-1
CID: 45101433
Formula: C13H20N2O4
MW: 268.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight268.31
XLogP3-3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass268.14230712
Monoisotopic Mass268.14230712
Topological Polar Surface Area70.1 Ų
Heavy Atom Count19
Formal Charge0
Complexity392
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
A11598-500Tianeptine 500mg
A11598-50Tianeptine 50mg
A10931-200Tianeptine sodium 200mg
A10931-25Tianeptine sodium 25mg
A10931-5Tianeptine sodium 5mg
A11598-10mM-DTianeptine 10mM * 1mL in DMSO
A20941-100LEQ506 100mg
A16059-100DTP3 100mg
A18826-100ML604440 100mg
A16179-100Eact 100mg

Alternative Products

CatalogName
A3873-50Tianeptine
A5322-5.1Tianeptine sodium
CS-O-02973Tianeptine-d4
290165-01Tianeptine discontinued
TRC-T436825-25MG(R)-Tianeptine
sc-220250Tianeptine-d12
FT138080-01Tianeptine Sulfate

Popular Products