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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H16O6.2C16H19N3O5S
Molecular Weight 1119.1821
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AMOXICILLIN EMBONATE

SMILES

c1ccc2c(c1)cc(c(c2Cc3c4ccccc4cc(c3O)C(=O)O)O)C(=O)O.CC1(C)[C@]([H])(C(=O)O)N2C(=O)[C@]([H])([C@@]2([H])S1)N=C([C@@]([H])(c3ccc(cc3)O)N)O.CC1(C)[C@]([H])(C(=O)O)N2C(=O)[C@]([H])([C@@]2([H])S1)N=C([C@@]([H])(c3ccc(cc3)O)N)O

InChI

InChIKey=WXXKGMSZYRAJSK-XSULHWGKSA-N
InChI=1S/C23H16O6.2C16H19N3O5S/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;2*1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h1-10,24-25H,11H2,(H,26,27)(H,28,29);2*3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t;2*9-,10-,11+,14-/m.11/s1

HIDE SMILES / InChI

Molecular Formula C16H19N3O5S
Molecular Weight 365.4059
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula C23H16O6
Molecular Weight 388.3704
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 00:28:22 UTC 2021
Edited
by admin
on Sat Jun 26 00:28:22 UTC 2021
Record UNII
3V3X0IX41I
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AMOXICILLIN EMBONATE
Common Name English
4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 6-((AMINO(4-HYDROXYPHENYL)ACETYL)AMINO)-3,3-DIMETHYL-7-OXO-, (2S-(2.ALPHA.,5.ALPHA.,6.BETA.(S*)))-, 4,4'-METHYLENEBIS(3-HYDROXY-2-NAPHTHALENECARBOXYLATE) (2:1) (SALT)
Systematic Name English
Code System Code Type Description
CAS
119229-00-4
Created by admin on Sat Jun 26 00:28:22 UTC 2021 , Edited by admin on Sat Jun 26 00:28:22 UTC 2021
PRIMARY
PUBCHEM
91617951
Created by admin on Sat Jun 26 00:28:22 UTC 2021 , Edited by admin on Sat Jun 26 00:28:22 UTC 2021
PRIMARY
FDA UNII
3V3X0IX41I
Created by admin on Sat Jun 26 00:28:22 UTC 2021 , Edited by admin on Sat Jun 26 00:28:22 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE