Cas no 20013-22-3 (Caulophylline hydriodide)
Caulophylline hydriodide structure
Product Name:Caulophylline hydriodide
CAS No:20013-22-3
MF:C12H17IN2O
MW:332.180655241013
CID:51447
PubChem ID:29907
Update Time:2025-04-18
Caulophylline hydriodide Chemical and Physical Properties
Names and Identifiers
-
- Caulophylline hydriodide
- N-Methylcytisine hydriodide
- (1R)-1,2,3,4,5,6-Hexahydro-1,5-methano-8H-pyrido[1,2-a][1,5]diazocin-8-one hydriodide
- (-)-7R:9S-Caulophylline hydrogen iodide
- (1R)-3-Methyl-1,2,3,4,5,6-hexahydro-1r,5c-methano-pyrido[1,2-a][1,5]diazocin-8-on,Hydroiodid
- (1R)-3-methyl-1,2,3,4,5,6-hexahydro-1r,5c-methano-pyrido[1,2-a][1,5]diazocin-8-one,hydriodide
- C12H17N2O.I
- Caulophylline,monohydriodide
- Caulophylline,monohydriodide (8CI)
- CYTISINE,12-METHYL-,HYDROGEN IODIDE
- N-methylcytisine,monohydroiodide,(1R-cis)-isomer
- 13-methyl-11-aza-7-azoniatricyclo[7.3.1.02, 7]trideca-2, 4-dien-6-one;iodide
- 13-methyl-11-aza-7-azoniatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one;iodide
- CYTISINE, 12-METHYL-, HYDROGEN IODIDE
- 20013-22-3
- Caulophylline, monohydriodide
-
- Inchi： 1S/C12H16N2O.HI/c1-8-9-5-13-6-10(8)11-3-2-4-12(15)14(11)7-9;/h2-4,8-10,13H,5-7H2,1H3;1H
- InChI Key： DPRCHJCFEKIYQJ-UHFFFAOYSA-N
- SMILES： [I-].O=C1C=CC=C2C3CNCC(C[NH+]21)C3C
Computed Properties
- Exact Mass: 332.03900
- Monoisotopic Mass: 332.038556
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 0
- Complexity: 359
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 33.5
Experimental Properties
- Boiling Point: 408.9°C at 760 mmHg
- Flash Point: 201.1°C
- PSA: 34.03000
- LogP: 2.12800
Caulophylline hydriodide Related Literature
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
20013-22-3 (Caulophylline hydriodide) Related Products
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