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Details

Stereochemistry EPIMERIC
Molecular Formula C22H21ClN2O8
Molecular Weight 476.864
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TEMAZEPAM GLUCURONIDE

SMILES

CN1C2=C(C=C(Cl)C=C2)C(=NC(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C1=O)C4=CC=CC=C4

InChI

InChIKey=KFYGTOURBGCWNQ-RYQNVSPKSA-N
InChI=1S/C22H21ClN2O8/c1-25-13-8-7-11(23)9-12(13)14(10-5-3-2-4-6-10)24-19(20(25)29)33-22-17(28)15(26)16(27)18(32-22)21(30)31/h2-9,15-19,22,26-28H,1H3,(H,30,31)/t15-,16-,17+,18-,19?,22-/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H21ClN2O8
Molecular Weight 476.864
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 5 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Substance Class Chemical
Created
by admin
on Sat Dec 16 09:34:03 GMT 2023
Edited
by admin
on Sat Dec 16 09:34:03 GMT 2023
Record UNII
Y1E98AMN1E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TEMAZEPAM GLUCURONIDE
Common Name English
BA-2826
Code English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 7-CHLORO-2,3-DIHYDRO-1-METHYL-2-OXO-5-PHENYL-1H-1,4-BENZODIAZEPIN-3-YL
Systematic Name English
3-HYDROXYDIAZEPAM GLUCURONIDE
Systematic Name English
Code System Code Type Description
FDA UNII
Y1E98AMN1E
Created by admin on Sat Dec 16 09:34:03 GMT 2023 , Edited by admin on Sat Dec 16 09:34:03 GMT 2023
PRIMARY
CAS
3703-53-5
Created by admin on Sat Dec 16 09:34:03 GMT 2023 , Edited by admin on Sat Dec 16 09:34:03 GMT 2023
PRIMARY
EPA CompTox
DTXSID501334459
Created by admin on Sat Dec 16 09:34:03 GMT 2023 , Edited by admin on Sat Dec 16 09:34:03 GMT 2023
PRIMARY
PUBCHEM
76973794
Created by admin on Sat Dec 16 09:34:03 GMT 2023 , Edited by admin on Sat Dec 16 09:34:03 GMT 2023
PRIMARY
Related Record Type Details
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