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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H35N3O3
Molecular Weight 437.5744
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AT-076

SMILES

CC(C)[C@@H](CN1CCC(CC1)C2=CC(O)=CC=C2)NC(=O)[C@H]3CC4=C(CN3)C=C(O)C=C4

InChI

InChIKey=LGYDWJJZDCXEOV-JWQCQUIFSA-N
InChI=1S/C26H35N3O3/c1-17(2)25(16-29-10-8-18(9-11-29)19-4-3-5-22(30)12-19)28-26(32)24-14-20-6-7-23(31)13-21(20)15-27-24/h3-7,12-13,17-18,24-25,27,30-31H,8-11,14-16H2,1-2H3,(H,28,32)/t24-,25-/m1/s1

HIDE SMILES / InChI

Molecular Formula C26H35N3O3
Molecular Weight 437.5744
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:59:39 GMT 2023
Edited
by admin
on Sat Dec 16 16:59:39 GMT 2023
Record UNII
NT43S9BKJ2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AT-076
Common Name English
3-ISOQUINOLINECARBOXAMIDE, 1,2,3,4-TETRAHYDRO-7-HYDROXY-N-((1S)-1-((4-(3-HYDROXYPHENYL)-1-PIPERIDINYL)METHYL)-2-METHYLPROPYL)-, (3R)-
Systematic Name English
(3R)-1,2,3,4-TETRAHYDRO-7-HYDROXY-N-((1S)-1-((4-(3-HYDROXYPHENYL)-1-PIPERIDINYL)METHYL)-2-METHYLPROPYL)-3-ISOQUINOLINECARBOXAMIDE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID401032296
Created by admin on Sat Dec 16 16:59:40 GMT 2023 , Edited by admin on Sat Dec 16 16:59:40 GMT 2023
PRIMARY
WIKIPEDIA
AT-076
Created by admin on Sat Dec 16 16:59:40 GMT 2023 , Edited by admin on Sat Dec 16 16:59:40 GMT 2023
PRIMARY
FDA UNII
NT43S9BKJ2
Created by admin on Sat Dec 16 16:59:40 GMT 2023 , Edited by admin on Sat Dec 16 16:59:40 GMT 2023
PRIMARY
PUBCHEM
91938095
Created by admin on Sat Dec 16 16:59:40 GMT 2023 , Edited by admin on Sat Dec 16 16:59:40 GMT 2023
PRIMARY
CAS
1657028-64-2
Created by admin on Sat Dec 16 16:59:40 GMT 2023 , Edited by admin on Sat Dec 16 16:59:40 GMT 2023
PRIMARY
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