Products for Research Use Only
RegisterLogin

Alstonidine acetate trihydrate

CAT: 0931-T29912-01Size: 100 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T29912-01Size:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
25442-92-6
Target
Others
Related Pathways
Others
Bioactivity
Alstonidine acetate trihydrate is a biochemical.
Smiles
O.COC(=O)C1=CO[C@@H](C)[C@H](COC(C)=O)[C@@H]1Cc1nccc2c3ccccc3n(C)c12
Molecular Formula
C24H28N2O6
Molecular Weight
440.49
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Alstonidine acetate trihydrate
CAS Number25442-92-6
PubChem CID72710698
IUPAC Namemethyl (2S,3S,4S)-3-(acetyloxymethyl)-2-methyl-4-[(9-methylpyrido[3,4-b]indol-1-yl)methyl]-3,4-dihydro-2H-pyran-5-carboxylate;trihydrate
Molecular FormulaC24H32N2O8
Molecular Weight476.5
Topological Polar Surface Area82.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count34
Formal Charge0
Complexity710
SMILES
C[C@H]1[C@@H]([C@@H](C(=CO1)C(=O)OC)CC2=NC=CC3=C2N(C4=CC=CC=C34)C)COC(=O)C.O.O.O
InChI
InChI=1S/C24H26N2O5.3H2O/c1-14-19(12-31-15(2)27)18(20(13-30-14)24(28)29-4)11-21-23-17(9-10-25-21)16-7-5-6-8-22(16)26(23)3;;;/h5-10,13-14,18-19H,11-12H2,1-4H3;3*1H2/t14-,18-,19-;;;/m0.../s1
InChIKey
MCGHEKJRLIEUIK-HDTQAHQWSA-N
Chemical Structure
2D Structure
2D structure of Alstonidine acetate trihydrate
CAS: 25442-92-6
CID: 72710698
Formula: C24H32N2O8
MW: 476.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight476.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass476.21586598
Monoisotopic Mass476.21586598
Topological Polar Surface Area82.7 Ų
Heavy Atom Count34
Formal Charge0
Complexity710
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count4
Compound Is CanonicalizedYes

Related Products

CatalogName
T29911L-01Alstonidine acetate
T29911-01Alstonidine
TSH-00234Sodium acetate trihydrate
T21296Desmopressin acetate trihydrate
TYD-00868-01Lead (II) acetate trihydrate
T77201-01Rutin trihydrate
T202463-01Rovatirelin trihydrate
T6381-01Amifostine trihydrate
T38643Cefixime trihydrate
T0186-01Docetaxel trihydrate

Alternative Products

CatalogName
GTR19223992-01Alstonidine acetate trihydrate
MBS5779540Alstonidine acetate
GTR19201809Desmopressin acetate trihydrate
TRC-L320060-5GLead Acetate Trihydrate
GK0054-10kgSodium acetate trihydrate
SB0481Sodium acetate, trihydrate
MBS5779539Alstonidine

Popular Products