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Details

Stereochemistry ABSOLUTE
Molecular Formula C14H18Cl2N2O6S.C8H6O5
Molecular Weight 595.404
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of THIAMPHENICOL AMINOACETATE 4-HYDROXYISOPHTHALATE

SMILES

OC(=O)C1=CC=C(O)C(=C1)C(O)=O.CS(=O)(=O)C2=CC=C(C=C2)[C@@H](O)[C@@H](COC(=O)CN)NC(=O)C(Cl)Cl

InChI

InChIKey=ROQRITDZGVFDNW-MHDYBILJSA-N
InChI=1S/C14H18Cl2N2O6S.C8H6O5/c1-25(22,23)9-4-2-8(3-5-9)12(20)10(7-24-11(19)6-17)18-14(21)13(15)16;9-6-2-1-4(7(10)11)3-5(6)8(12)13/h2-5,10,12-13,20H,6-7,17H2,1H3,(H,18,21);1-3,9H,(H,10,11)(H,12,13)/t10-,12-;/m1./s1

HIDE SMILES / InChI

Molecular Formula C14H18Cl2N2O6S
Molecular Weight 413.274
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula C8H6O5
Molecular Weight 182.1302
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 Dec 16 18:21:51 GMT 2023
Edited
by admin
on Sat Dec 16 18:21:51 GMT 2023
Record UNII
H7PD86RR8U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
THIAMPHENICOL AMINOACETATE 4-HYDROXYISOPHTHALATE
Common Name English
ISOPHTHALIC ACID, 4-HYDROXY-, COMPD. WITH GLYCINE .ALPHA.-ESTER WITH D-THREO-2,2-DICHLORO-N-(.BETA.-HYDROXY-.ALPHA.-(HYDROXYMETHYL)-P-(METHYLSULFONYL)PHENETHYL)ACETAMIDE (1:1)
Systematic Name English
GLYCINE, (2R,3R)-2-((DICHLOROACETYL)AMINO)-3-HYDROXY-3-(4-(METHYLSULFONYL)PHENYL)PROPYL ESTER, 4-HYDROXY-1,3-BENZENEDICARBOXYLATE (1:1) (SALT)
Systematic Name English
THIAMPHENICOL GLYCINATE 4-HYDROXYISOPHTHALATE
Common Name English
Code System Code Type Description
FDA UNII
H7PD86RR8U
Created by admin on Sat Dec 16 18:21:51 GMT 2023 , Edited by admin on Sat Dec 16 18:21:51 GMT 2023
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CAS
24557-75-3
Created by admin on Sat Dec 16 18:21:51 GMT 2023 , Edited by admin on Sat Dec 16 18:21:51 GMT 2023
PRIMARY
PUBCHEM
162623746
Created by admin on Sat Dec 16 18:21:51 GMT 2023 , Edited by admin on Sat Dec 16 18:21:51 GMT 2023
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SMS_ID
100000076121
Created by admin on Sat Dec 16 18:21:51 GMT 2023 , Edited by admin on Sat Dec 16 18:21:51 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE