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Details

Stereochemistry ACHIRAL
Molecular Formula C20H23NO6
Molecular Weight 373.3997
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENDACALOL

SMILES

[H][C@@]1(COC2=CC=CC=C2O1)[C@@H](O)CNC[C@@H](O)[C@]3([H])COC4=C(O3)C=CC=C4

InChI

InChIKey=JMVGSDHINNGCAC-GOFCXKROSA-N
InChI=1S/C20H23NO6/c22-13(19-11-24-15-5-1-3-7-17(15)26-19)9-21-10-14(23)20-12-25-16-6-2-4-8-18(16)27-20/h1-8,13-14,19-23H,9-12H2/t13-,14+,19+,20-

HIDE SMILES / InChI

Molecular Formula C20H23NO6
Molecular Weight 373.3997
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:51:08 UTC 2023
Edited
by admin
on Sat Dec 16 15:51:08 UTC 2023
Record UNII
BQ0I558X42
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENDACALOL
INN  
INN  
Official Name English
bendacalol [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C72900
Created by admin on Sat Dec 16 15:51:08 UTC 2023 , Edited by admin on Sat Dec 16 15:51:08 UTC 2023
Code System Code Type Description
PUBCHEM
10434826
Created by admin on Sat Dec 16 15:51:08 UTC 2023 , Edited by admin on Sat Dec 16 15:51:08 UTC 2023
PRIMARY
INN
6097
Created by admin on Sat Dec 16 15:51:08 UTC 2023 , Edited by admin on Sat Dec 16 15:51:08 UTC 2023
PRIMARY
ChEMBL
CHEMBL2110643
Created by admin on Sat Dec 16 15:51:08 UTC 2023 , Edited by admin on Sat Dec 16 15:51:08 UTC 2023
PRIMARY
NCI_THESAURUS
C79912
Created by admin on Sat Dec 16 15:51:08 UTC 2023 , Edited by admin on Sat Dec 16 15:51:08 UTC 2023
PRIMARY
SMS_ID
100000086594
Created by admin on Sat Dec 16 15:51:08 UTC 2023 , Edited by admin on Sat Dec 16 15:51:08 UTC 2023
PRIMARY
CAS
81703-42-6
Created by admin on Sat Dec 16 15:51:08 UTC 2023 , Edited by admin on Sat Dec 16 15:51:08 UTC 2023
PRIMARY
FDA UNII
BQ0I558X42
Created by admin on Sat Dec 16 15:51:08 UTC 2023 , Edited by admin on Sat Dec 16 15:51:08 UTC 2023
PRIMARY
EPA CompTox
DTXSID20231253
Created by admin on Sat Dec 16 15:51:08 UTC 2023 , Edited by admin on Sat Dec 16 15:51:08 UTC 2023
PRIMARY
EVMPD
SUB05706MIG
Created by admin on Sat Dec 16 15:51:08 UTC 2023 , Edited by admin on Sat Dec 16 15:51:08 UTC 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY