DNK-333

Investigational

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H25Cl2F6N3O3
Molecular Weight	624.402
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN([C@H](CC1=CC(Cl)=C(Cl)C=C1)\C=C\C(=O)N[C@@H]2CCCCNC2=O)C(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChIKey=BHCJHYIMNHXLOM-WVDRJWPYSA-N

InChI=1S/C27H25Cl2F6N3O3/c1-38(25(41)16-12-17(26(30,31)32)14-18(13-16)27(33,34)35)19(10-15-5-7-20(28)21(29)11-15)6-8-23(39)37-22-4-2-3-9-36-24(22)40/h5-8,11-14,19,22H,2-4,9-10H2,1H3,(H,36,40)(H,37,39)/b8-6+/t19-,22+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C27H25Cl2F6N3O3
Molecular Weight	624.402
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:27:25 UTC 2023` Edited by `admin` on `Fri Dec 15 16:27:25 UTC 2023`
Record UNII	G9BL4978MZ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DNK-333

Common Name

English

(+)-DNK-333

Common Name

English

BENZAMIDE, N-((1R,2E)-1-((3,4-DICHLOROPHENYL)METHYL)-4-(((3R)-HEXAHYDRO-2-OXO-1H-AZEPIN-3-YL)AMINO)-4-OXO-2-BUTENYL)-N-METHYL-3,5-BIS(TRIFLUOROMETHYL)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

9939040