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CAM 4750

CAT: 0013-GTR19209856-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209856-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CAM 4750 is a selective, non-peptide antagonist of the neurokinin 1 (NK1) receptor. It is utilized in neuroscience and pharmacology research to investigate the role of substance P signaling in pain, inflammation, and emesis, both in cellular assays and animal models.
CAS Number
183023-30-5
Smiles
Cl.C[C@H] (N (C) C (=O) [C@@] (C) (Cc1c[nH]c2ccccc12) NC (=O) OCc1cc2ccccc2o1) c1ccncc1
Molecular Formula
C30H31ClN4O4
Molecular Weight
547.05
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Cam 4750

a nonpeptide tachykinin NK1 receptor antagonist; structure given in first source

CAS Number183023-30-5
PubChem CID177371
IUPAC Name1-benzofuran-2-ylmethyl N-[(2R)-3-(1H-indol-3-yl)-2-methyl-1-[methyl-[(1S)-1-pyridin-4-ylethyl]amino]-1-oxopropan-2-yl]carbamate;hydrochloride
Molecular FormulaC30H31ClN4O4
Molecular Weight547.0
Topological Polar Surface Area100
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count39
Formal Charge0
Complexity820
SMILES
C[C@@H](C1=CC=NC=C1)N(C)C(=O)[C@@](C)(CC2=CNC3=CC=CC=C32)NC(=O)OCC4=CC5=CC=CC=C5O4.Cl
InChI
InChI=1S/C30H30N4O4.ClH/c1-20(21-12-14-31-15-13-21)34(3)28(35)30(2,17-23-18-32-26-10-6-5-9-25(23)26)33-29(36)37-19-24-16-22-8-4-7-11-27(22)38-24;/h4-16,18,20,32H,17,19H2,1-3H3,(H,33,36);1H/t20-,30+;/m0./s1
InChIKey
QPGFPBNZOCRBIA-BQHCNSOKSA-N
Chemical Structure
2D Structure
2D structure of Cam 4750
CAS: 183023-30-5
CID: 177371
Formula: C30H31ClN4O4
MW: 547.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight547.0
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass546.2033832
Monoisotopic Mass546.2033832
Topological Polar Surface Area100 Ų
Heavy Atom Count39
Formal Charge0
Complexity820
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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