FLOCOUMAFEN, TRANS-

Details

Stereochemistry	RACEMIC
Molecular Formula	C33H25F3O4
Molecular Weight	542.5444
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC1=C([C@@H]2C[C@H](CC3=CC=CC=C23)C4=CC=C(OCC5=CC=C(C=C5)C(F)(F)F)C=C4)C(=O)OC6=C1C=CC=C6

InChI

InChIKey=KKBGNYHHEIAGOH-NEKDWFFYSA-N

InChI=1S/C33H25F3O4/c34-33(35,36)24-13-9-20(10-14-24)19-39-25-15-11-21(12-16-25)23-17-22-5-1-2-6-26(22)28(18-23)30-31(37)27-7-3-4-8-29(27)40-32(30)38/h1-16,23,28,37H,17-19H2/t23-,28+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C33H25F3O4
Molecular Weight	542.5444
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 `Mon Mar 31 21:29:43 GMT 2025` Edited by `admin` on `Mon Mar 31 21:29:43 GMT 2025`
Record UNII	X6IK7X8Z9P
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(±)-FLOCOUMAFEN, TRANS-

Preferred Name

English

FLOCOUMAFEN, TRANS-

Common Name

English

2H-1-BENZOPYRAN-2-ONE, 4-HYDROXY-3-(1,2,3,4-TETRAHYDRO-3-(4-((4-(TRIFLUOROMETHYL)PHENYL)METHOXY)PHENYL)-1-NAPHTHALENYL)-, TRANS-

Common Name

English

2H-1-BENZOPYRAN-2-ONE, 4-HYDROXY-3-((1R,3R)-1,2,3,4-TETRAHYDRO-3-(4-((4-(TRIFLUOROMETHYL)PHENYL)METHOXY)PHENYL)-1-NAPHTHALENYL)-, REL-

Common Name

English

Code System Code Type Description

PUBCHEM

76960466

Created by admin on Mon Mar 31 21:29:43 GMT 2025 , Edited by admin on Mon Mar 31 21:29:43 GMT 2025

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EPA CompTox

DTXSID70909036

Created by admin on Mon Mar 31 21:29:43 GMT 2025 , Edited by admin on Mon Mar 31 21:29:43 GMT 2025

PRIMARY

FDA UNII

X6IK7X8Z9P

Created by admin on Mon Mar 31 21:29:43 GMT 2025 , Edited by admin on Mon Mar 31 21:29:43 GMT 2025

PRIMARY

CAS

104563-60-2

Created by admin on Mon Mar 31 21:29:43 GMT 2025 , Edited by admin on Mon Mar 31 21:29:43 GMT 2025

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