Barettin

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C17H19BrN6O2
Molecular Weight	419.276
Optical Activity	( - )
Defined Stereocenters	1 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

NC(=N)NCCC[C@@H]1NC(=O)\C(NC1=O)=C\C2=CNC3=C2C=CC(Br)=C3

InChI

InChIKey=YYFNNPXWRXQUPR-JVXNRYDGSA-N

InChI=1S/C17H19BrN6O2/c18-10-3-4-11-9(8-22-13(11)7-10)6-14-16(26)23-12(15(25)24-14)2-1-5-21-17(19)20/h3-4,6-8,12,22H,1-2,5H2,(H,23,26)(H,24,25)(H4,19,20,21)/b14-6-/t12-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C17H19BrN6O2
Molecular Weight	419.276
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 07:08:03 GMT 2025` Edited by `admin` on `Wed Apr 02 07:08:03 GMT 2025`
Record UNII	LAM9W2P97T
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(-)-Barettin

Preferred Name

English

Barettin

Common Name

English

GBB 1-Z

Common Name

English

Guanidine, [3-[(2S,5Z)-5-[(6-bromo-1H-indol-3-yl)methylene]-3,6-dioxo-2-piperazinyl]propyl]-

Systematic Name

English

(-)-Barettine

Common Name

English

Guanidine, N-[3-[(2S)-5-[(5Z)-(6-bromo-1H-indol-3-yl)methylene]-3,6-dioxo-2-piperazinyl]propyl]-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID101317811