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SC 51089

CAT: 0607-B7496-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-B7496-10Size:10 mg
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Description
EP1 prostanoid receptor antagonist
CAS Number
146033-02-5
Product Name Alternative
8-chloro-N'-(3-(pyridin-4-yl)propanoyl)dibenzo[b,f][1,4]oxazepine-10(11H)-carbohydrazide hydrochloride
Field of Research
GPCR G protein Prostanoid Receptors
Purity
≥95.00%
Form
A crystalline solid
Solubility
Soluble in DMSO
Smiles
ClC1=CC=C2OC3=CC=CC=C3CN(C(NNC(CCC4=CC=NC=C4)=O)=O)C2=C1.Cl
Molecular Formula
C22H19ClN4O3·HCl
Molecular Weight
459.33
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

SC 51089

structure in first source; dinoprostone antagonist

CAS Number146033-02-5
PubChem CID132748
IUPAC Name3-chloro-N'-(3-pyridin-4-ylpropanoyl)-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide;hydrochloride
Molecular FormulaC22H20Cl2N4O3
Molecular Weight459.3
Topological Polar Surface Area83.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count31
Formal Charge0
Complexity601
SMILES
C1C2=CC=CC=C2OC3=C(N1C(=O)NNC(=O)CCC4=CC=NC=C4)C=C(C=C3)Cl.Cl
InChI
InChI=1S/C22H19ClN4O3.ClH/c23-17-6-7-20-18(13-17)27(14-16-3-1-2-4-19(16)30-20)22(29)26-25-21(28)8-5-15-9-11-24-12-10-15;/h1-4,6-7,9-13H,5,8,14H2,(H,25,28)(H,26,29);1H
InChIKey
ORMHJTXDPDGKIS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of SC 51089
CAS: 146033-02-5
CID: 132748
Formula: C22H20Cl2N4O3
MW: 459.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight459.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass458.0912459
Monoisotopic Mass458.0912459
Topological Polar Surface Area83.6 Ų
Heavy Atom Count31
Formal Charge0
Complexity601
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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