Products for Research Use Only
RegisterLogin

Misoprostol

CAT: 0926-FM46798-02Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0926-FM46798-02Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
59122-46-2
Synonyms
(11a,13E) - (+/-) -11,16-Dihydroxy-16-methyl-9-oxoprost-13-en-1-oic acid methyl ester
MDL Number
MFCD00941433
Smiles
CCCCC (C) (C/C=C/[C@H]1[C@@H] (CC (=O) [C@@H]1CCCCCCC (=O) OC) O) O
Molecular Formula
C22H38O5
Molecular Weight
382.53 g/mol
Controlled
No

Chemical Information

Misoprostol

Misoprostol can cause developmental toxicity according to state or federal government labeling requirements.

CAS Number59122-46-2
PubChem CID5282381
IUPAC Namemethyl 7-[(1R,2R,3R)-3-hydroxy-2-[(E)-4-hydroxy-4-methyloct-1-enyl]-5-oxocyclopentyl]heptanoate
Molecular FormulaC22H38O5
Molecular Weight382.5
XLogP3.7
Topological Polar Surface Area83.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count14
Heavy Atom Count27
Formal Charge0
Complexity487
SMILES
CCCCC(C)(C/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)OC)O)O
InChI
InChI=1S/C22H38O5/c1-4-5-14-22(2,26)15-10-12-18-17(19(23)16-20(18)24)11-8-6-7-9-13-21(25)27-3/h10,12,17-18,20,24,26H,4-9,11,13-16H2,1-3H3/b12-10+/t17-,18-,20-,22?/m1/s1
InChIKey
OJLOPKGSLYJEMD-URPKTTJQSA-N
Chemical Structure
2D Structure
2D structure of Misoprostol
CAS: 59122-46-2
CID: 5282381
Formula: C22H38O5
MW: 382.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight382.5
XLogP33.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count14
Exact Mass382.27192431
Monoisotopic Mass382.27192431
Topological Polar Surface Area83.8 Ų
Heavy Atom Count27
Formal Charge0
Complexity487
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
B3484-5.1Misoprostol
AR-M03035-01Misoprostol EP Impurity C (Misoprostol A)
HY-13790811β-Misoprostol

Popular Products