Cas no 95940-02-6 (7-Didemethyl Minocycline Dihydrochloride)
95940-02-6 structure
Product Name:7-Didemethyl Minocycline Dihydrochloride
CAS No:95940-02-6
MF:C21H25Cl2N3O7
MW:502.345103979111
CID:827253
PubChem ID:57369931
Update Time:2025-04-19
7-Didemethyl Minocycline Dihydrochloride Chemical and Physical Properties
Names and Identifiers
-
- 7-Didemethyl Minocycline Dihydrochloride
- 7-Amino-4-(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4 ,4a,5,5a,6,11,12a-octahydro-2-tetracenecarboxamide dihydrochlorid e
- 7-Didemethyl Minocycline Dihydrochloride (>85% by HPLC)
- 95940-02-6
-
- Inchi： 1S/C21H23N3O7.2ClH/c1-24(2)15-9-6-7-5-8-10(22)3-4-11(25)13(8)16(26)12(7)18(28)21(9,31)19(29)14(17(15)27)20(23)30;;/h3-4,7,9,15,25-26,29,31H,5-6,22H2,1-2H3,(H2,23,30);2*1H/t7-,9-,15-,21-;;/m0../s1
- InChI Key： QPUSNIIGUQGQMR-FKINEOHTSA-N
- SMILES： Cl.Cl.O[C@@]12C(=C(C(N)=O)C([C@H]([C@@H]1C[C@@H]1CC3C(=CC=C(C=3C(=C1C2=O)O)O)N)N(C)C)=O)O
Computed Properties
- Exact Mass: 501.10700
- Monoisotopic Mass: 501.1069555g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 8
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 33
- Rotatable Bond Count: 2
- Complexity: 926
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 187?2
Experimental Properties
- Melting Point: >213?C (dec.)
- PSA: 188.40000
- LogP: 3.03770
7-Didemethyl Minocycline Dihydrochloride Related Literature
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
-
Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
95940-02-6 (7-Didemethyl Minocycline Dihydrochloride) Related Products
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