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Details

Stereochemistry ABSOLUTE
Molecular Formula C42H50N2O15
Molecular Weight 822.8508
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of WAY-14522

SMILES

CC1=C(N(CC2=CC=C(OCCN3CCCCCC3)C=C2)C4=CC=C(O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O)C=C14)C6=CC=C(O[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7O)C(O)=O)C=C6

InChI

InChIKey=FMPLVZPGUJCCCC-FOIJVJNNSA-N
InChI=1S/C42H50N2O15/c1-22-28-20-27(57-42-36(50)32(46)34(48)38(59-42)40(53)54)14-15-29(28)44(21-23-6-10-25(11-7-23)55-19-18-43-16-4-2-3-5-17-43)30(22)24-8-12-26(13-9-24)56-41-35(49)31(45)33(47)37(58-41)39(51)52/h6-15,20,31-38,41-42,45-50H,2-5,16-19,21H2,1H3,(H,51,52)(H,53,54)/t31-,32-,33-,34-,35+,36+,37-,38-,41+,42+/m0/s1

HIDE SMILES / InChI

Molecular Formula C42H50N2O15
Molecular Weight 822.8508
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 21:34:18 UTC 2023
Edited
by admin
on Thu Jul 06 21:34:18 UTC 2023
Record UNII
KGU18138S7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
WAY-14522
Common Name English
4-(5-(.BETA.-D-GLUCOPYRANURONOSYLOXY)-1-((4-(2-(HEXAHYDRO-1H-AZEPIN-1-YL)ETHOXY)PHENYL)METHYL)-3-METHYL-1H-INDOL-2-YL)PHENYL .BETA.-D-GLUCOPYRANOSIDURONIC ACID
Systematic Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 4-(5-(.BETA.-D-GLUCOPYRANURONOSYLOXY)-1-((4-(2-(HEXAHYDRO-1H-AZEPIN-1-YL)ETHOXY)PHENYL)METHYL)-3-METHYL-1H-INDOL-2-YL)PHENYL
Systematic Name English
Code System Code Type Description
PUBCHEM
9875830
Created by admin on Thu Jul 06 21:34:18 UTC 2023 , Edited by admin on Thu Jul 06 21:34:18 UTC 2023
PRIMARY
EPA CompTox
DTXSID30432138
Created by admin on Thu Jul 06 21:34:18 UTC 2023 , Edited by admin on Thu Jul 06 21:34:18 UTC 2023
PRIMARY
FDA UNII
KGU18138S7
Created by admin on Thu Jul 06 21:34:18 UTC 2023 , Edited by admin on Thu Jul 06 21:34:18 UTC 2023
PRIMARY
CAS
328933-67-1
Created by admin on Thu Jul 06 21:34:18 UTC 2023 , Edited by admin on Thu Jul 06 21:34:18 UTC 2023
PRIMARY
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