Orbitazine

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C24H30N4O2
Molecular Weight	406.5206
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of Orbitazine

Structure Search

SMILES

OC1=C(CC=C)C=CC=C1\C=N\NC(=O)CN2CCCN(CC3=CC=CC=C3)CC2

InChI

InChIKey=FSTUIKHIDSXUFY-KOEQRZSOSA-N

InChI=1S/C24H30N4O2/c1-2-8-21-11-6-12-22(24(21)30)17-25-26-23(29)19-28-14-7-13-27(15-16-28)18-20-9-4-3-5-10-20/h2-6,9-12,17,30H,1,7-8,13-16,18-19H2,(H,26,29)/b25-17+

HIDE SMILES / InChI

Molecular Formula	C24H30N4O2
Molecular Weight	406.5206
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:46:25 UTC 2023` Edited by `admin` on `Sat Dec 16 18:46:25 UTC 2023`
Record UNII	EPM5NPG4E4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Orbitazine

Common Name

English

1H-1,4-Diazepine-1-acetic acid, hexahydro-4-(phenylmethyl)-, 2-[[2-hydroxy-3-(2-propen-1-yl)phenyl]methylene]hydrazide

Systematic Name

English

Hexahydro-4-(phenylmethyl)-1H-1,4-diazepine-1-acetic acid (2E)-2-[[2-hydroxy-3-(2-propen-1-yl)phenyl]methylene]hydrazide

Systematic Name

English

N′-(3-allyl-2-hydroxybenzylidene)-2-(4-benzyl-1,4-homopiperazin-1-yl)acetylhydrazine

Systematic Name

English

Code System Code Type Description

PUBCHEM

135659013

Created by admin on Sat Dec 16 18:46:26 UTC 2023 , Edited by admin on Sat Dec 16 18:46:26 UTC 2023

PRIMARY

FDA UNII

EPM5NPG4E4

Created by admin on Sat Dec 16 18:46:26 UTC 2023 , Edited by admin on Sat Dec 16 18:46:26 UTC 2023

PRIMARY

CAS

1836111-10-4

Created by admin on Sat Dec 16 18:46:26 UTC 2023 , Edited by admin on Sat Dec 16 18:46:26 UTC 2023

ALTERNATIVE

CAS

1186016-58-9

Created by admin on Sat Dec 16 18:46:26 UTC 2023 , Edited by admin on Sat Dec 16 18:46:26 UTC 2023

PRIMARY

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