AG00ABL4

187227-45-8 | Oseltamivir acid

AG00ABL4

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CAS Number	187227-45-8
Catalog Number	AG00ABL4(AGN-PC-0QGC41)
Chemical Name	Oseltamivir acid
IUPAC Name	(3R,4R,5S)-4-acetamido-5-amino-3-pentan-3-yloxycyclohexene-1-carboxylic acid
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
InChI Key	NENPYTRHICXVCS-YNEHKIRRSA-N
MDL Number	MFCD00953940
Molecular Formula	C14H24N2O4
Molecular Weight	284.3514
SMILES	CCC(O[C@@H]1C=C(C(O)=O)C[C@H](N)[C@H]1NC(C)=O)CC
UNII	K6106LV5Q8
Synonyms	Oseltamivir acid, 187227-45-8, Oseltamivir carboxylate, Oseltamivir (acid), GS 4071, Ro 64-0802, GS4071, UNII-K6106LV5Q8, CHEMBL674, CHEBI:73139, K6106LV5Q8, GS-4071, (3R,4R,5S)-4-acetamido-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 5-N-ACETYL-3-(1-ETHYLPROPYL)-1-CYCLOHEXENE-1-CARBOXYLIC ACID, (3r,4r,5s)-4-(Acetylamino)-5-Amino-3-(Pentan-3-Yloxy)cyclohex-1-Ene-1-Carboxylic Acid, 1-Cyclohexene-1-carboxylic acid, 4-(acetylamino)-5-amino-3-(1-ethylpropoxy)-, (3R,4R,5S)-, G39, Oseltamivir-carboxylate, Ro-64-0802, Oseltamivir carboxylate (OC), SCHEMBL182903, AC1L9N23, BDBM4994, CTK0H5622, AOB5627, DTXSID50171996, 1-Cyclohexene-1-carboxylicacid, 4-(acetylamino)-5-amino-3-(1-ethylpropoxy)-, (3R,4R,5S)-, ZINC3929509, 3953AH, AKOS027325283, CS-0553, DB02600, MCULE-4540641587, CC-33365, HY-13318, EN300-150145, W-5251, (3R,4R,5S)-4-Acetamido-5-amino-3-(1-ethylpropoxy)-1-cyclohex-ene-1-carboxylic acid, (3R,4R,5S)-4-acetamido-5-amino-3-(1-ethylpropoxy)cyclohexene-1-carboxylic acid, (3R,4R,5S)-4-acetamido-5-amino-3-pentan-3-yloxycyclohexene-1-carboxylic acid, (3r,4r,5s)-4-acetylamino-5-amino-3(1-ethylpropoxy)-1-cyclohexene-1-carboxylic acid, (3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 1-Cyclohexene-1-carboxylic acid, 4-(acetylamino)-5-amino-3-(1-ethylpropoxy)-, (3R-(3alpha,4beta,5alpha))-, oseltamivir, 2,4-diamino triazine, Oseltamivir EP Impurity C, D06IDO, D0YY3N, Oseltamivir Carboxylic Acid, C14H24N2O4, CID449381, C14-H24-N2-O4, CS-O-07980, CS-O-10285, A3689, C403132, (3R,4R,5S)-4-acetamido-5-amino-3-(pentan-3-yloxy)cyclohex-1-enecarboxylic acid, 50884-86-1,

Complexity	391
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Exact Mass	284.174g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	284.356g/mol
Monoisotopic Mass	284.174g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	102A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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