AT-076

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 Search

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 UTC 2023` Edited by `admin` on `Sat Dec 16 16:59:39 UTC 2023`
Record UNII	NT43S9BKJ2
Record Status	`Validated (UNII)`
Record Version

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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