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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H25Cl2NO8
Molecular Weight 526.363
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SERTRALINE CARBAMOYL-O-GLUCURONIDE

SMILES

CN([C@H]1CC[C@@H](C2=CC(Cl)=C(Cl)C=C2)C3=CC=CC=C13)C(=O)O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O

InChI

InChIKey=IFPBIAXQORQOIY-BQOQXNJCSA-N
InChI=1S/C24H25Cl2NO8/c1-27(24(33)35-23-20(30)18(28)19(29)21(34-23)22(31)32)17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(25)16(26)10-11/h2-6,8,10,12,17-21,23,28-30H,7,9H2,1H3,(H,31,32)/t12-,17-,18-,19-,20+,21-,23-/m0/s1

HIDE SMILES / InChI

Molecular Formula C24H25Cl2NO8
Molecular Weight 526.363
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:57:16 UTC 2023
Edited
by admin
on Fri Dec 15 18:57:16 UTC 2023
Record UNII
42M7V4CERF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SERTRALINE CARBAMOYL-O-GLUCURONIDE
Common Name English
.BETA.-D-GLUCOPYRANURONIC ACID, 1-((4-(3,4-DICHLOROPHENYL)-1,2,3,4-TETRAHYDRO-1-NAPHTHALENYL)METHYLCARBAMATE), (1S-CIS)-
Common Name English
SERTRALINE N-CARBAMOYL GLUCURONIDE
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID70923095
Created by admin on Fri Dec 15 18:57:17 UTC 2023 , Edited by admin on Fri Dec 15 18:57:17 UTC 2023
PRIMARY
FDA UNII
42M7V4CERF
Created by admin on Fri Dec 15 18:57:17 UTC 2023 , Edited by admin on Fri Dec 15 18:57:17 UTC 2023
PRIMARY
PUBCHEM
71752187
Created by admin on Fri Dec 15 18:57:17 UTC 2023 , Edited by admin on Fri Dec 15 18:57:17 UTC 2023
PRIMARY
CAS
119733-44-7
Created by admin on Fri Dec 15 18:57:17 UTC 2023 , Edited by admin on Fri Dec 15 18:57:17 UTC 2023
PRIMARY
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