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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H33NO4
Molecular Weight 327.4589
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ethyl (3R,4S,5R)-5-[(1,1-dimethylethyl)amino]-3-(1-ethylpropoxy)-4-hydroxy-1-cyclohexene-1-carboxylate

SMILES

CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@@H](O)[C@@H](C1)NC(C)(C)C

InChI

InChIKey=QKBSLGDKUALQOQ-OAGGEKHMSA-N
InChI=1S/C18H33NO4/c1-7-13(8-2)23-15-11-12(17(21)22-9-3)10-14(16(15)20)19-18(4,5)6/h11,13-16,19-20H,7-10H2,1-6H3/t14-,15-,16+/m1/s1

HIDE SMILES / InChI

Molecular Formula C18H33NO4
Molecular Weight 327.4589
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 20:08:39 GMT 2023
Edited
by admin
on Sat Dec 16 20:08:39 GMT 2023
Record UNII
9MY2932JH9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Ethyl (3R,4S,5R)-5-[(1,1-dimethylethyl)amino]-3-(1-ethylpropoxy)-4-hydroxy-1-cyclohexene-1-carboxylate
Systematic Name English
1-Cyclohexene-1-carboxylic acid, 5-[(1,1-dimethylethyl)amino]-3-(1-ethylpropoxy)-4-hydroxy-, ethyl ester, (3R,4S,5R)-
Systematic Name English
Ethyl (3R,4S,5R)-5-N-(1,1-Dimethylethyl)amino-3-(1-ethylpropoxy)-4-hydroxy-1-cyclohexene-1-carboxylate
Systematic Name English
Oseltamivir Impurity 48
Common Name English
Code System Code Type Description
CAS
651324-04-8
Created by admin on Sat Dec 16 20:08:39 GMT 2023 , Edited by admin on Sat Dec 16 20:08:39 GMT 2023
PRIMARY
PUBCHEM
91025434
Created by admin on Sat Dec 16 20:08:39 GMT 2023 , Edited by admin on Sat Dec 16 20:08:39 GMT 2023
PRIMARY
FDA UNII
9MY2932JH9
Created by admin on Sat Dec 16 20:08:39 GMT 2023 , Edited by admin on Sat Dec 16 20:08:39 GMT 2023
PRIMARY