Products for Research Use Only
RegisterLogin

Mirogabalin besylate

CAT: 0926-NVB24521-01Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0926-NVB24521-01Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1138245-21-2
MDL Number
MFCD31631215
Smiles
CCC1=C[C@@H]2[C@H] (C1) C[C@@]2 (CC (=O) O) CN.C1=CC=C (C=C1) S (=O) (=O) O
Molecular Formula
C12H19NO2•C6H6O3S
Molecular Weight
367.46 g/mol
Controlled
No

Chemical Information

Mirogabalin Besylate

See also: Mirogabalin (has active moiety).

CAS Number1138245-21-2
PubChem CID81689826
IUPAC Name2-[(1R,5S,6S)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid;benzenesulfonic acid
Molecular FormulaC18H25NO5S
Molecular Weight367.5
Topological Polar Surface Area126
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity494
SMILES
CCC1=C[C@@H]2[C@H](C1)C[C@@]2(CC(=O)O)CN.C1=CC=C(C=C1)S(=O)(=O)O
InChI
InChI=1S/C12H19NO2.C6H6O3S/c1-2-8-3-9-5-12(7-13,6-11(14)15)10(9)4-8;7-10(8,9)6-4-2-1-3-5-6/h4,9-10H,2-3,5-7,13H2,1H3,(H,14,15);1-5H,(H,7,8,9)/t9-,10-,12-;/m1./s1
InChIKey
OKJXJRVWXYRSAN-TXULWXBWSA-N
Chemical Structure
2D Structure
2D structure of Mirogabalin Besylate
CAS: 1138245-21-2
CID: 81689826
Formula: C18H25NO5S
MW: 367.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight367.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass367.14534407
Monoisotopic Mass367.14534407
Topological Polar Surface Area126 Ų
Heavy Atom Count25
Formal Charge0
Complexity494
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

Related Products

CatalogName
BM166964-01Mirogabalin
FC20458-01Cisatracurium besylate
FA17874-01Amlodipine besylate
KEC05381Spebrutinib besylate
FL34051-01Levamlodipine besylate
VAD04920-01Molibresib besylate
FA18027-01Atracurium besylate
ZFD60392-01N-Desmethyl atracurium besylate
AUB67616-01Atracurium Besylate (cis-Quaternary Alcohol)
BA164162Amlodipine besylate - Bio-X TM

Alternative Products

CatalogName
319552Mirogabalin besylate
A19379-50Mirogabalin besylate 50mg
A19379-10Mirogabalin besylate 10mg
A19379-5Mirogabalin besylate 5mg
A19379-100Mirogabalin besylate 100mg
HY-12650-01Mirogabalin

Popular Products