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EMA400

CAT: 0013-GTR19153925-02Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19153925-02Size:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
EMA400 is a potent and highly selective AT2R antagonist.
CAS Number
152362-51-1
Purity
>98%
Smiles
O (CC1C=CC=CC=1) C1=C (C=CC2=C1CC (C (=O) O) N (C (C (C1C=CC=CC=1) C1C=CC=CC=1) =O) C2) OC
Molecular Formula
C32H29NO5
Molecular Weight
507.576369047165
Notes
For research use only.

Chemical Information

2-(2,2-diphenylacetyl)-6-methoxy-5-phenylmethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic Acid
CAS Number152362-51-1
PubChem CID9892451
IUPAC Name2-(2,2-diphenylacetyl)-6-methoxy-5-phenylmethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
Molecular FormulaC32H29NO5
Molecular Weight507.6
XLogP5.6
Topological Polar Surface Area76.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count38
Formal Charge0
Complexity752
SMILES
COC1=C(C2=C(CN(C(C2)C(=O)O)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)C=C1)OCC5=CC=CC=C5
InChI
InChI=1S/C32H29NO5/c1-37-28-18-17-25-20-33(31(34)29(23-13-7-3-8-14-23)24-15-9-4-10-16-24)27(32(35)36)19-26(25)30(28)38-21-22-11-5-2-6-12-22/h2-18,27,29H,19-21H2,1H3,(H,35,36)
InChIKey
GHBCIXGRCZIPNQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2,2-diphenylacetyl)-6-methoxy-5-phenylmethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic Acid
CAS: 152362-51-1
CID: 9892451
Formula: C32H29NO5
MW: 507.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight507.6
XLogP35.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass507.20457303
Monoisotopic Mass507.20457303
Topological Polar Surface Area76.1 Ų
Heavy Atom Count38
Formal Charge0
Complexity752
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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