TAK-480

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H33F2N3O4
Molecular Weight	513.5761
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC[C@@H]1NC2=C(C=CC=C2)[C@@H]3[C@@H]1CCN3C(=O)[C@H]4CCCC[C@@H]4NC(=O)C5=CC=C(OC(F)F)C=C5

InChI

InChIKey=UKIXMERQKUXWJA-AXWOKOBESA-N

InChI=1S/C28H33F2N3O4/c1-36-16-24-20-14-15-33(25(20)19-6-2-4-8-22(19)31-24)27(35)21-7-3-5-9-23(21)32-26(34)17-10-12-18(13-11-17)37-28(29)30/h2,4,6,8,10-13,20-21,23-25,28,31H,3,5,7,9,14-16H2,1H3,(H,32,34)/t20-,21+,23+,24+,25-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C28H33F2N3O4
Molecular Weight	513.5761
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 20:05:43 GMT 2025` Edited by `admin` on `Wed Apr 02 20:05:43 GMT 2025`
Record UNII	W8A6GX6UTQ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TAK-480

Code

English

4-(Difluoromethoxy)-N-[(1R,2S)-2-[[(3aR,4R,9bR)-4-(methoxymethyl)-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinolin-1-yl]carbonyl]cyclohexyl]benzamide

Preferred Name

English

Benzamide, 4-(difluoromethoxy)-N-[(1R,2S)-2-[[(3aR,4R,9bR)-2,3,3a,4,5,9b-hexahydro-4-(methoxymethyl)-1H-pyrrolo[3,2-c]quinolin-1-yl]carbonyl]cyclohexyl]-

Systematic Name

English

Code System Code Type Description

CAS

868779-13-9

Created by admin on Wed Apr 02 20:05:43 GMT 2025 , Edited by admin on Wed Apr 02 20:05:43 GMT 2025

PRIMARY

FDA UNII

W8A6GX6UTQ

Created by admin on Wed Apr 02 20:05:43 GMT 2025 , Edited by admin on Wed Apr 02 20:05:43 GMT 2025

PRIMARY

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Tested in irritable bowel syndrome.

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