(αR,α′S,2S,2′S)-α,α′-[Iminobis(methylene)]bis[6-fluoro-3,4-dihydro-2H-1-benzopyran-2-methanol]

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H25F2NO4
Molecular Weight	405.435
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (αR,α′S,2S,2′S)-α,α′-[Iminobis(methylene)]bis[6-fluoro-3,4-dihydro-2H-1-benzopyran-2-methanol]

Structure Search

SMILES

[H][C@]1(CCC2=C(O1)C=CC(F)=C2)[C@@H](O)CNC[C@@H](O)[C@]3([H])CCC4=C(O3)C=CC(F)=C4

InChI

InChIKey=KOHIRBRYDXPAMZ-UDKICSLYSA-N

InChI=1S/C22H25F2NO4/c23-15-3-7-19-13(9-15)1-5-21(28-19)17(26)11-25-12-18(27)22-6-2-14-10-16(24)4-8-20(14)29-22/h3-4,7-10,17-18,21-22,25-27H,1-2,5-6,11-12H2/t17-,18+,21-,22-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C22H25F2NO4
Molecular Weight	405.435
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:00:35 GMT 2023` Edited by `admin` on `Sat Dec 16 19:00:35 GMT 2023`
Record UNII	396Z75Z5FC
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

(αR,α′S,2S,2′S)-α,α′-[Iminobis(methylene)]bis[6-fluoro-3,4-dihydro-2H-1-benzopyran-2-methanol]

Systematic Name

English

R74714

Code

English

2H-1-Benzopyran-2-methanol, α,α′-[iminobis(methylene)]bis[6-fluoro-3,4-dihydro-, (αR,α′S,2S,2′S)-

Common Name

English

Code System Code Type Description

PUBCHEM

26316818

Created by admin on Sat Dec 16 19:00:35 GMT 2023 , Edited by admin on Sat Dec 16 19:00:35 GMT 2023

PRIMARY

FDA UNII

396Z75Z5FC

Created by admin on Sat Dec 16 19:00:35 GMT 2023 , Edited by admin on Sat Dec 16 19:00:35 GMT 2023

PRIMARY

CAS

119365-25-2

Created by admin on Sat Dec 16 19:00:35 GMT 2023 , Edited by admin on Sat Dec 16 19:00:35 GMT 2023

PRIMARY