TAK-418

Investigational

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C17H24N2O2S.ClH
Molecular Weight	356.911
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.O=C(NC1CCOCC1)C2=CSC(=C2)[C@@H]3C[C@H]3NCC4CC4

InChI

InChIKey=LEEWMGOHGNRDKC-CTHHTMFSSA-N

InChI=1S/C17H24N2O2S.ClH/c20-17(19-13-3-5-21-6-4-13)12-7-16(22-10-12)14-8-15(14)18-9-11-1-2-11;/h7,10-11,13-15,18H,1-6,8-9H2,(H,19,20);1H/t14-,15-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C17H24N2O2S
Molecular Weight	320.45
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 13:56:14 UTC 2023` Edited by `admin` on `Sat Dec 16 13:56:14 UTC 2023`
Record UNII	LVM0PK6IHG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TAK-418

Code

English

Classification Tree Code System Code

FDA ORPHAN DRUG

635718