(3R,4R,5S)-4-Acetamido-5-amino-3-(3-pentanyloxy)-1-cyclohexene-1-carboxylic acid | CAS No. 187227-45-8

(3R,4R,5S)-4-Acetamido-5-amino-3-(3-pentanyloxy)-1-cyclohexene-1-carboxylic acid

Basic Information

CAS Number

187227-45-8

Molecular Formula

C14H24N2O4

Molecular Weight

284.36 g/mol

AD

Basic Physical Properties

Melting Point

185-187 ºC

Boiling Point

508.7°C at 760 mmHg

CCC(CC)OC1C=C(CC(C1NC(=O)C)N)C(=O)O

InChI

InChI=1S/C14H24N2O4/c1-4-10(5-2)20-12-7-9(14(18)19)6-11(15)13(12)16-8(3)17/h7,10-13H,4-6,15H2,1-3H3,(H,16,17)(H,18,19)/t11-,12+,13+/m0/s1

InChIKey

NENPYTRHICXVCS-YNEHKIRRSA-N

LogP

0.8069000000000008

Topological Polar Surface Area

101.64999999999999 Ų

Hydrogen Bond Donor/Acceptor

4 / 6

Complexity

391

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • UNII-K6106LV5Q8
  • C90284
  • (3r,4r,5s)-4-acetylamino-5-amino-3(1-ethylpropoxy)-1-cyclohexene-1-carboxylic acid
  • GS 4071
  • 1-Cyclohexene-1-carboxylic acid, 4-(acetylamino)-5-amino-3-(1-ethylpropoxy)-, (3R,4R,5S)-
  • OSELTAMIVIR PHOSPHATE IMPURITY C [EP IMPURITY]
  • HY-13318
  • OSELTAMIVIR PHOSPHATE IMPURITY, OSELTAMIVIR ACID- [USP IMPURITY]
  • Ro-64-0802
  • (3r,4r,5s)-4-(Acetylamino)-5-Amino-3-(Pentan-3-Yloxy)cyclohex-1-Ene-1-Carboxylic Acid
  • (3R,4R,5S)-4-Acetamido-5-amino-3-(1-ethylpropoxy)-1-cyclohex-ene-1-carboxylic acid
  • Oseltamivir Carboxylic Acid
  • Oseltamivir-carboxylate
  • G39
  • DB02600
  • (3R,4R,5S)-4-acetamido-5-amino-3-pentan-3-yloxycyclohexene-1-carboxylic acid
  • CHEMBL674
  • Oseltamivir free acid
  • CHEBI:73139
  • (3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid
  • Oseltamivir (acid)
  • (3R,4R,5S)-4-ACETAMIDO-5-AMINO-3-(1-ETHYLPROPOXY)CYCLOHEX-1-ENE-1-CARBOXYLIC ACID
  • Ro 64-0802
  • BDBM4994
  • CS-0553
  • A907638
  • DTXSID50171996
  • NS00000302
  • Oseltamivir acid, (-)-
  • (3R,4R,5S)-4-acetamido-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid
  • (3R,4R,5S)-4-(Acetylamino)-5-amino-3-(1-ethylpropoxy)-1-cyclohexence-1-carboxylic Acid

MDL Number

MFCD00953940

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