Cas no 56782-29-7 (4-amino-N-(6-methoxypyridazin-3-yl)benzenesulfonamide; (2R,3R,4R,5S)-6-methylaminohexane-1,2,3,4,5-pentol)
56782-29-7 structure
Product Name:4-amino-N-(6-methoxypyridazin-3-yl)benzenesulfonamide; (2R,3R,4R,5S)-6-methylaminohexane-1,2,3,4,5-pentol
CAS No:56782-29-7
MF:C18H29N5O8S
MW:475.516563177109
CID:372034
PubChem ID:194025
Update Time:2025-04-19
4-amino-N-(6-methoxypyridazin-3-yl)benzenesulfonamide; (2R,3R,4R,5S)-6-methylaminohexane-1,2,3,4,5-pentol Chemical and Physical Properties
Names and Identifiers
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- SILIBININ-N-METHYLGLUCAMINE
- sulfalene meglumine
- (2R,3R,4R,5S)-6-methylaminohexane-1,2,3,4,5-pentol
- 4-amino-N-(6-methoxypyridazin-3-yl)benzenesulfonamide
- 4-amino-N-(6-methoxypyridazin-3-yl)benzenesulfonamide;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
- Sulfapyridazine meglumine
- 4-Amino-N-(6-methoxypyridazin-3-yl)benzenesulfonamide compound with (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentaol (1:1)
- DTXSID40972232
- 56782-29-7
- 4-Amino-N-(6-methoxypyridazin-3-yl)benzene-1-sulfonamide--1-deoxy-1-(methylamino)hexitol (1/1)
- 4-amino-N-(6-methoxypyridazin-3-yl)benzenesulfonamide; (2R,3R,4R,5S)-6-methylaminohexane-1,2,3,4,5-pentol
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- Inchi: 1S/C11H12N4O3S.C7H17NO5/c1-18-11-7-6-10(13-14-11)15-19(16,17)9-4-2-8(12)3-5-9;1-8-2-4(10)6(12)7(13)5(11)3-9/h2-7H,12H2,1H3,(H,13,15);4-13H,2-3H2,1H3/t;4-,5+,6+,7+/m.0/s1
- InChI Key: XJVLMMKEXQKOFU-WZTVWXICSA-N
- SMILES: S(C1C=CC(=CC=1)N)(NC1=CC=C(N=N1)OC)(=O)=O.O[C@H]([C@H](CNC)O)[C@@H]([C@@H](CO)O)O
Computed Properties
- Exact Mass: 475.17368407g/mol
- Monoisotopic Mass: 475.17368407g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 8
- Hydrogen Bond Acceptor Count: 13
- Heavy Atom Count: 32
- Rotatable Bond Count: 10
- Complexity: 510
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 229?2
4-amino-N-(6-methoxypyridazin-3-yl)benzenesulfonamide; (2R,3R,4R,5S)-6-methylaminohexane-1,2,3,4,5-pentol Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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