AG0029D4

204255-11-8 | phosphoric acid ethyl (3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylate

AG0029D4

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CAS Number	204255-11-8
Catalog Number	AG0029D4(AGN-PC-0QUDJS)
Chemical Name	phosphoric acid ethyl (3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylate
IUPAC Name	ethyl (3R,4R,5S)-4-acetamido-5-amino-3-pentan-3-yloxycyclohexene-1-carboxylate;phosphoric acid
InChI	InChI=1S/C16H28N2O4.H3O4P/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19;1-5(2,3)4/h9,12-15H,5-8,17H2,1-4H3,(H,18,19);(H3,1,2,3,4)/t13-,14+,15+;/m0./s1
InChI Key	PGZUMBJQJWIWGJ-ONAKXNSWSA-N
MDL Number	MFCD08059548
Molecular Formula	C16H31N2O8P
Molecular Weight	410.3997
SMILES	P(=O)(O)(O)O.C(C)(=O)N[C@H]1[C@@H](C=C(C[C@@H]1N)C(=O)OCC)OC(CC)CC
UNII	4A3O49NGEZ
Synonyms	GS 4071, GS 4104, GS-4071, GS-4104, GS4071, GS4104, Oseltamivir, Tamiflu, Oseltamivir phosphate, 204255-11-8, Tamiflu, Oseltamivir (phosphate), Oseltamir Phosphate, UNII-4A3O49NGEZ, GS4104, 4A3O49NGEZ, ethyl (3R,4R,5S)-4-acetamido-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylate phosphate, CHEBI:7799, Ethyl (3R,4R,5S)-4-acetamido-5-amino-3-(1-ethylpropoxy)-1-cyclohexene-1-carboxylate phosphate (1:1), Ro 64-0796/002, GS 4104, Osteltamivir phosphate, (3R-(3alpha,4beta,5alpha))-Ethyl 4-(acetylamino)-5-amino-3-(1-ethylpropoxy)-1-cyclohexene-1-carboxylate phosphate (1:1), GS-4104, Oseltamivir phosphate, 98%, (3R-(3alpha,4beta,5alpha)-Ethyl 4-(acetylamino)-5-amino-3-(1-ethylpropoxy)-1-cyclohexene-1-carboxylate phosphate (1:1), 1-Cyclohexene-1-carboxylic acid, 4-(acetylamino)-5-amino-3-(1-ethylpropoxy)-, ethyl ester, (3R,4R,5S)-, phosphate (1:1), C16H28N2O4.H3PO4, 1-Cyclohexene-1-carboxylic acid, 4-(acetylamino)-5-amino-3-(1-ethylpropoxy)-, ethyl ester, (3R-(3alpha,4beta,5alpha)-, phosphate (1:1), Ethyl (3R,4R,5S)-4-acetamido-5-amino-3-(1-ethylpropoxy)-1-cyclohexene-1-carboxylate, phosphate (1:1), ethyl (3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylate; phosphoric acid, Ro-64-0796, Oseltamivir Phosphate [USAN], SR-05000001499, C16H28N2O4.H3O4P, Ebilfumin (TN), Oseltamivir phosphate [USAN:USP], ethyl (3R,4R,5S)-4-acetamido-5-amino-3-pentan-3-yloxycyclohexene-1-carboxylate;phosphoric acid, Tamiflu (TN), AC1L2U9Q, SCHEMBL8730, oseltamivir-phosphate-Tamiflu, MLS006011559, CHEMBL1200340, DTXSID0044230, Ethyl (3R,4R,5S)-4-acetamido-5-amino-3-pentan-3-yloxycyclohexene-1-carboxylate phosphate, PGZUMBJQJWIWGJ-ONAKXNSWSA-N, BCPP000138, Oseltamivir phosphate (JAN/USAN), ACT03369, ABP000749, MFCD08059548, s2597, AKOS015896056, BCP9001033, CCG-230250, CS-0871, KS-1184, MCULE-3939535663, RL02533, Oseltamivir phosphate, >=98% (HPLC), Ro 64-0796, AC-25911, BC216470, HY-17016, SMR004703323, AB0011433, LS-173828, Ro-640796002, ST24048849, GS-4104/002, Ro-64-0796-002, Ro-64-0796/002, C08093, D00900, J10429, W-5362, 255O118, SR-05000001960, I06-1861, J-013302, J-523838, SR-05000001499-2, SR-05000001960-1, Z1550675456, Oseltamivir phosphate, United States Pharmacopeia (USP) Reference Standard, (3R,4R,5S)-ethyl 4-acetamido-5-amino-3-(pentan-3-yloxy)cyclohex-1-enecarboxylate phosphate, Oseltamivir phosphate (impurity B free), European Pharmacopoeia (EP) Reference Standard, Oseltamivir Phosphate, Pharmaceutical Secondary Standard; Certified Reference Material, (3R,4R,5S)-4-acetylamino-5-amino-3-(1-ethyl-propoxy)-cyclohex-1-enecarboxylic acid ethyl ester phosphate, (3R,4R,5S)-4-acetylamino-5-amino-3-(1-ethyl-propoxy)-cyclohex-1-enecarboxylic acid ethyl ester phosphoric acid salt, 1-Cyclohexene-1-carboxylic acid, 4-(acetylamino)-5-amino-3-(1-ethylpropoxy)-, ethyl ester, (3R,4R,5S)-, phosphate, ethyl (3R,4R,5S)-4-acetamido-5-amino-3-pentan-3-yloxycyclohexene-1-carboxylate; phosphoric acid, phosphoric acid ethyl (3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylate, oseltamivir, Oseltamivirphosphate, cc-563, Oseltamivir phosphate (Tamiflu), CID78000, GS 4071, ACN-040773, CS-O-02016, C16-H28-N2-O4.H3-O4-P, B1803, A11653, (3R,5S)-Ethyl 4-acetamido-5-amino-3-(pentan-3-yloxy)cyclohex-1-enecarboxylate phosphate, (3R,5S)-ethyl4-acetamido-5-amino-3-(pentan-3-yloxy)cyclohex-1-enecarboxylate,

Complexity	468
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Exact Mass	410.182g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	5
Isotope Atom Count	0
Molecular Weight	410.404g/mol
Monoisotopic Mass	410.182g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	168A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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