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Carboprost

CAT: 0607-BA5722-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0607-BA5722-5Size:5 mg
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CAS Number
35700-23-3
Form
An oil
Molecular Formula
C21H36O5
Molecular Weight
368.51
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Carboprost

Carboprost is prostaglandin F2alpha in which the hydrogen at position 15 is substituted by methyl (S configuration). It is used as an abortifacient agent that is effective in both the first and second trimesters of pregnancy. It has a role as an oxytocic and an abortifacient. It is functionally related to a prostaglandin F2alpha. It is a conjugate acid of a carboprost(1-).

CAS Number35700-23-3
PubChem CID5281075
IUPAC Name(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-3-methyloct-1-enyl]cyclopentyl]hept-5-enoic acid
Molecular FormulaC21H36O5
Molecular Weight368.5
XLogP2.9
Topological Polar Surface Area98
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Heavy Atom Count26
Formal Charge0
Complexity473
SMILES
CCCCC[C@@](C)(/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O)O
InChI
InChI=1S/C21H36O5/c1-3-4-9-13-21(2,26)14-12-17-16(18(22)15-19(17)23)10-7-5-6-8-11-20(24)25/h5,7,12,14,16-19,22-23,26H,3-4,6,8-11,13,15H2,1-2H3,(H,24,25)/b7-5-,14-12+/t16-,17-,18+,19-,21+/m1/s1
InChIKey
DLJKPYFALUEJCK-IIELGFQLSA-N
Chemical Structure
2D Structure
2D structure of Carboprost
CAS: 35700-23-3
CID: 5281075
Formula: C21H36O5
MW: 368.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight368.5
XLogP32.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Exact Mass368.25627424
Monoisotopic Mass368.25627424
Topological Polar Surface Area98 Ų
Heavy Atom Count26
Formal Charge0
Complexity473
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS3616126-01Carboprost
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AR-C01406-01Carboprost Trometamol Impurity B (Carboprost)
HY-128428RCarboprost (Standard)
HY-A0195-01Carboprost (tromethamine)
HY-128550-01Carboprost methyl

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