U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C38H42N6O6S2
Molecular Weight 742.9103
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NAVAFENTEROL

SMILES

CN(CCCn1c2ccc(cc2nn1)CNC[C@@]([H])(c3ccc(c4c3ccc(n4)O)O)O)[C@@]5([H])CC[C@@]([H])(CC5)OC(=O)C(c6cccs6)(c7cccs7)O

InChI

InChIKey=ZNKWRAKPQQZLNX-ZDQHWEPJSA-N
InChI=1S/C38H42N6O6S2/c1-43(25-8-10-26(11-9-25)50-37(48)38(49,33-5-2-19-51-33)34-6-3-20-52-34)17-4-18-44-30-14-7-24(21-29(30)41-42-44)22-39-23-32(46)27-12-15-31(45)36-28(27)13-16-35(47)40-36/h2-3,5-7,12-16,19-21,25-26,32,39,45-46,49H,4,8-11,17-18,22-23H2,1H3,(H,40,47)/t25-,26-,32-/m0/s1

HIDE SMILES / InChI

Molecular Formula C38H42N6O6S2
Molecular Weight 742.9103
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Jun 25 22:41:37 UTC 2021
Edited
by admin
on Fri Jun 25 22:41:37 UTC 2021
Record UNII
U29GY32XJ4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NAVAFENTEROL
USAN   INN  
Official Name English
2-THIOPHENEACETIC ACID, .ALPHA.-HYDROXY-.ALPHA.-2-THIENYL-, TRANS-4-((3-(5-((((2R)-2-(1,2-DIHYDRO-8-HYDROXY-2-OXO-5-QUINOLINYL)-2-HYDROXYETHYL)AMINO)METHYL)-1H-BENZOTRIAZOL-1-YL)PROPYL)METHYLAMINO)CYCLOHEXYL ESTER
Systematic Name English
AZD 8871 [WHO-DD]
Common Name English
AZD-8871
Code English
LAS191351
Code English
NAVAFENTEROL [USAN]
Common Name English
TRANS-4-((3-(5-((((2R)-2-HYDROXY-2-(8-HYDROXY-2-OXO-1,2-DIHYDRO-5- QUINOLINYL)ETHYL)AMINO)METHYL)-1H-BENZOTRIAZOL-1-YL)PROPYL)(METHYL)AMINO)CYCLOHEXYL HYDROXY(DI-2-THIENYL)ACETATE
Systematic Name English
NAVAFENTEROL [INN]
Common Name English
LAS-191351
Code English
AZD8871
Code English
Code System Code Type Description
NCI_THESAURUS
C174920
Created by admin on Fri Jun 25 22:41:37 UTC 2021 , Edited by admin on Fri Jun 25 22:41:37 UTC 2021
PRIMARY
CAS
1435519-06-4
Created by admin on Fri Jun 25 22:41:37 UTC 2021 , Edited by admin on Fri Jun 25 22:41:37 UTC 2021
PRIMARY
INN
11100
Created by admin on Fri Jun 25 22:41:37 UTC 2021 , Edited by admin on Fri Jun 25 22:41:37 UTC 2021
PRIMARY
FDA UNII
U29GY32XJ4
Created by admin on Fri Jun 25 22:41:37 UTC 2021 , Edited by admin on Fri Jun 25 22:41:37 UTC 2021
PRIMARY
PUBCHEM
71558565
Created by admin on Fri Jun 25 22:41:37 UTC 2021 , Edited by admin on Fri Jun 25 22:41:37 UTC 2021
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
TARGET -> AGONIST
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY