2-HYDROXY-RAMELTEON

Details

Stereochemistry	EPIMERIC
Molecular Formula	C16H21NO3
Molecular Weight	275.3428
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(O)C(=O)NCC[C@@H]1CCC2=CC=C3OCCC3=C12

InChI

InChIKey=FGFNIJYHXMJYJN-KFJBMODSSA-N

InChI=1S/C16H21NO3/c1-10(18)16(19)17-8-6-12-3-2-11-4-5-14-13(15(11)12)7-9-20-14/h4-5,10,12,18H,2-3,6-9H2,1H3,(H,17,19)/t10?,12-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C16H21NO3
Molecular Weight	275.3428
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	1 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:05:18 UTC 2023` Edited by `admin` on `Sat Dec 16 11:05:18 UTC 2023`
Record UNII	EYC868P4VY
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-HYDROXY-RAMELTEON

Common Name

English

RAMELTEON MII METABOLITE

Common Name

English

PROPANAMIDE, 2-HYDROXY-N-(2-((8S)-1,6,7,8-TETRAHYDRO-2H-INDENO(5,4-B)FURAN-8-YL)ETHYL)-

Systematic Name

English

RAMELTEON (MII)

Common Name

English

Code System Code Type Description

PUBCHEM

46783414

Created by admin on Sat Dec 16 11:05:19 UTC 2023 , Edited by admin on Sat Dec 16 11:05:19 UTC 2023

PRIMARY

FDA UNII

EYC868P4VY

Created by admin on Sat Dec 16 11:05:19 UTC 2023 , Edited by admin on Sat Dec 16 11:05:19 UTC 2023

PRIMARY

EPA CompTox

DTXSID80676202

Created by admin on Sat Dec 16 11:05:19 UTC 2023 , Edited by admin on Sat Dec 16 11:05:19 UTC 2023

PRIMARY

CAS

896736-21-3

Created by admin on Sat Dec 16 11:05:19 UTC 2023 , Edited by admin on Sat Dec 16 11:05:19 UTC 2023

PRIMARY

Related Record Type Details


					901AS54I69

RAMELTEON

PARENT -> METABOLITE ACTIVE

Comments:

major isozyme metabolizes to S-isomer

Interaction Type:

MAJOR

Qualification:

PLASMA