Cas no 158473-55-3 ((2E)-6-amino-2-imino-4-(piperidin-1-yl)pyrimidin-1(2H)-ol 2,3-dihydroxybutanedioate (1:1))
158473-55-3 structure
Product Name:(2E)-6-amino-2-imino-4-(piperidin-1-yl)pyrimidin-1(2H)-ol 2,3-dihydroxybutanedioate (1:1)
CAS No:158473-55-3
MF:C13H21N5O7
MW:359.335142850876
CID:1336730
PubChem ID:178012
Update Time:2025-04-20
(2E)-6-amino-2-imino-4-(piperidin-1-yl)pyrimidin-1(2H)-ol 2,3-dihydroxybutanedioate (1:1) Chemical and Physical Properties
Names and Identifiers
-
- (2E)-6-amino-2-imino-4-(piperidin-1-yl)pyrimidin-1(2H)-ol 2,3-dihydroxybutanedioate (1:1)
- DTXSID60935925
- 70J7ZH7ECA
- Q27265863
- 2,3-Dihydroxybutanedioic acid--6-amino-2-imino-4-(piperidin-1-yl)pyrimidin-1(2H)-ol (1/1)
- 2,4-Pyrimidinediamine, 6-(1-piperidinyl)-, 3-oxide, (2R,3R)-2,3-dihydroxybutanedioate (1:1)
- Minoxidil tartrate
- 158473-55-3
-
- Inchi： 1S/C9H15N5O.C4H6O6/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13;5-1(3(7)8)2(6)4(9)10/h6,11,15H,1-5,10H2;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1
- InChI Key： IJKSGZKAKNBJTQ-LREBCSMRSA-N
- SMILES： ON1C(=N)N=C(C=C1N)N1CCCCC1.O[C@@H](C(=O)O)[C@H](C(=O)O)O
Computed Properties
- Exact Mass: 359.14423
- Monoisotopic Mass: 359.14409803g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 7
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 25
- Rotatable Bond Count: 4
- Complexity: 463
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 204?2
Experimental Properties
- PSA: 204
(2E)-6-amino-2-imino-4-(piperidin-1-yl)pyrimidin-1(2H)-ol 2,3-dihydroxybutanedioate (1:1) Related Literature
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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