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M-0002 (hydrochloride)

CAT: 0804-HY-120285Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-120285Size:1 Each
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Description
M-0002 hydrochloride (RWJ-351647 hydrochloride) is a biologically active compound that acts as an antagonist of the vasopressin V2 receptor. M-0002 hydrochloride is potentially useful for inhibiting ascites. M-0002 hydrochloride shows excellent properties that are favorable for clinical development[1].
CAS Number
285559-03-7
Product Name Alternative
RWJ-351647 (hydrochloride) ; SPD-556 (hydrochloride)
UNSPSC
12352005
Target
Endogenous Metabolite
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Endocrinology
Assay Protocol
https://www.medchemexpress.com/m-0002-hydrochloride.html
Smiles
O=C(C1=CC=CC=C1C2=CC=CC=C2)NC3=CC=C(C(N4C[C@](COCC5)([H])N5CC6=CC=CC=C64)=O)C(Cl)=C3.Cl
Molecular Formula
C32H29Cl2N3O3
Molecular Weight
574.50
References & Citations
[1]Next-generation spirobenzazepines: identification of RWJ-676070 as a balanced vasopressin V1a/V2 receptor antagonist for human clinical studies
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

M-0002 (hydrochloride)
CAS Number285559-03-7
PubChem CID45261130
IUPAC NameN-[4-[(4aS)-1,2,4,4a,5,11-hexahydro-[1,4]oxazino[3,4-c][1,4]benzodiazepine-6-carbonyl]-3-chlorophenyl]-2-phenylbenzamide;hydrochloride
Molecular FormulaC32H29Cl2N3O3
Molecular Weight574.5
Topological Polar Surface Area61.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count40
Formal Charge0
Complexity851
SMILES
C1COC[C@H]2N1CC3=CC=CC=C3N(C2)C(=O)C4=C(C=C(C=C4)NC(=O)C5=CC=CC=C5C6=CC=CC=C6)Cl.Cl
InChI
InChI=1S/C32H28ClN3O3.ClH/c33-29-18-24(34-31(37)27-12-6-5-11-26(27)22-8-2-1-3-9-22)14-15-28(29)32(38)36-20-25-21-39-17-16-35(25)19-23-10-4-7-13-30(23)36;/h1-15,18,25H,16-17,19-21H2,(H,34,37);1H/t25-;/m0./s1
InChIKey
NTTUAEGHFUAPMK-UQIIZPHYSA-N
Chemical Structure
2D Structure
2D structure of M-0002 (hydrochloride)
CAS: 285559-03-7
CID: 45261130
Formula: C32H29Cl2N3O3
MW: 574.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight574.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass573.1585972
Monoisotopic Mass573.1585972
Topological Polar Surface Area61.9 Ų
Heavy Atom Count40
Formal Charge0
Complexity851
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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