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Home Amines 163680-77-1
163680-77-1,MFCD00913262
Catalog No.:AA001U8A

163680-77-1 | (2S)-6-(1-aminocyclopropyl)-7-fluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.0^{5,13}]trideca-5,7,9(13),11-tetraene-11-carboxylic acid; methanesulfonic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$18.00   $13.00
- +
5g
95%
in stock  
$47.00   $33.00
- +
25g
95%
in stock  
$151.00   $106.00
- +
100g
95%
in stock  
$508.00   $356.00
- +
500g
97%
in stock  
$1,424.00   $997.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA001U8A
Chemical Name:
(2S)-6-(1-aminocyclopropyl)-7-fluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.0^{5,13}]trideca-5,7,9(13),11-tetraene-11-carboxylic acid; methanesulfonic acid
CAS Number:
163680-77-1
Molecular Formula:
C17H19FN2O7S
Molecular Weight:
414.4054
MDL Number:
MFCD00913262
SMILES:
CS(=O)(=O)O.OC(=O)c1cn2[C@@H](C)COc3c2c(c1=O)cc(c3C1(N)CC1)F
NSC Number:
759831
Properties
Properties
 
BP:
531.5°C at 760 mmHg  
Form:
Solid  
MP:
>255°C (dec.)  
Storage:
Inert atmosphere;2-8℃;  

Computed Properties
 
Complexity:
695  
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
1  
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
3  
Rotatable Bond Count:
2  

Downstream Synthesis Route

[1]Meng,Genyi;Guo,Taijie;Ma,Tiancheng;Zhang,Jiong;Shen,Yucheng;Sharpless,KarlBarry;Dong,Jiajia[Nature,2019,vol.574,#7776,p.86-89]

Literature

Title: Fukuoka, Y., et al., In vitro and in vivo antibacterial activities of T-3761, a new quinolone derivative. Antimicrob Agents Chemother, 1993. 37(3): p. 384-92.

Title: Muratani, T., M. Inoue, and S. Mitsuhashi, In vitro activity of T-3761, a new fluoroquinolone. Antimicrob Agents Chemother, 1992. 36(10): p. 2293-303.

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SDS
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Tags:163680-77-1 Molecular Formula|163680-77-1 MDL|163680-77-1 SMILES|163680-77-1 (2S)-6-(1-aminocyclopropyl)-7-fluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.0^{5,13}]trideca-5,7,9(13),11-tetraene-11-carboxylic acid; methanesulfonic acid