Cas no 130383-75-4 (Benzamide,N-[(1-ethyl-2-pyrrolidinyl)methyl]-2-hydroxy-3-iodo-6-methoxy-)
![Benzamide,N-[(1-ethyl-2-pyrrolidinyl)methyl]-2-hydroxy-3-iodo-6-methoxy- structure](https://ossimg.kuujia.com/scimg/130500/130383-75-4x500.png)
130383-75-4 structure
Product Name:Benzamide,N-[(1-ethyl-2-pyrrolidinyl)methyl]-2-hydroxy-3-iodo-6-methoxy-
CAS No:130383-75-4
MF:C15H21IN2O3
MW:404.243316411972
CID:102648
Update Time:2024-01-24
Benzamide,N-[(1-ethyl-2-pyrrolidinyl)methyl]-2-hydroxy-3-iodo-6-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzamide,N-[(1-ethyl-2-pyrrolidinyl)methyl]-2-hydroxy-3-iodo-6-methoxy-
- S(-)-IBZM (IODOBENZAMIDE) D2 DOPAMINE RE CEPTOR
- (S)-(?)-3-Iodo-2-hydroxy-6-methoxy-N[(1-ethyl-2-pyrrolidinyl)methyl]benzamide
-
- Inchi： 1S/C15H21IN2O3/c1-3-18-8-4-5-10(18)9-17-15(20)13-12(21-2)7-6-11(16)14(13)19/h6-7,10,19H,3-5,8-9H2,1-2H3,(H,17,20)
- InChI Key： CANPFCFJURGKAX-UHFFFAOYSA-N
- SMILES： C(NCC1CCCN1CC)(=O)C1=C(OC)C=CC(I)=C1O
Computed Properties
- Exact Mass: 404.06
- Monoisotopic Mass: 404.06
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 21
- Rotatable Bond Count: 5
- Complexity: 356
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.3
- Topological Polar Surface Area: 61.8A^2
Experimental Properties
- Density: 1.51
- Boiling Point: 426.9 °C at 760 mmHg
- Flash Point: 212 °C
- Refractive Index: 1.592
- Solubility: H2O: <0.5?mg/mL, slightly soluble
- pka: 6.40±0.40(Predicted)
Benzamide,N-[(1-ethyl-2-pyrrolidinyl)methyl]-2-hydroxy-3-iodo-6-methoxy- Security Information
- WGK Germany：3
- Storage Condition：2-8°C
Benzamide,N-[(1-ethyl-2-pyrrolidinyl)methyl]-2-hydroxy-3-iodo-6-methoxy- Related Literature
-
Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
-
Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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