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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H29NO6
Molecular Weight 451.5116
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CYCLOBENZAPRINE N-GLUCURONIDE

SMILES

C[N+](C)(CCC=C1C2=C(C=CC=C2)C=CC3=C1C=CC=C3)[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C([O-])=O

InChI

InChIKey=DJRZMHSVTCVTFB-ARXROMJUSA-N
InChI=1S/C26H29NO6/c1-27(2,25-23(30)21(28)22(29)24(33-25)26(31)32)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-14,21-25,28-30H,7,15H2,1-2H3/t21-,22-,23+,24-,25+/m0/s1

HIDE SMILES / InChI

Molecular Formula C26H29NO6
Molecular Weight 451.5116
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 13:52:50 UTC 2023
Edited
by admin
on Thu Jul 06 13:52:50 UTC 2023
Record UNII
85C2J6324P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CYCLOBENZAPRINE N-GLUCURONIDE
Common Name English
Code System Code Type Description
CAS
67324-97-4
Created by admin on Thu Jul 06 13:52:50 UTC 2023 , Edited by admin on Thu Jul 06 13:52:50 UTC 2023
PRIMARY
FDA UNII
85C2J6324P
Created by admin on Thu Jul 06 13:52:50 UTC 2023 , Edited by admin on Thu Jul 06 13:52:50 UTC 2023
PRIMARY
PUBCHEM
92132319
Created by admin on Thu Jul 06 13:52:50 UTC 2023 , Edited by admin on Thu Jul 06 13:52:50 UTC 2023
PRIMARY
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