BROMANAUTINE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C17H21NO.C7H7BrN4O2
Molecular Weight	514.415
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN1C2=C(N=C(Br)N2)C(=O)N(C)C1=O.CN(C)CCOC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChIKey=XEBLCFHIRMGKIY-UHFFFAOYSA-N

InChI=1S/C17H21NO.C7H7BrN4O2/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h3-12,17H,13-14H2,1-2H3;1-2H3,(H,9,10)

HIDE SMILES / InChI

Molecular Formula	C7H7BrN4O2
Molecular Weight	259.06
Charge	0
Count

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

Molecular Formula	C17H21NO
Molecular Weight	255.3547
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:08:16 GMT 2023` Edited by `admin` on `Sat Dec 16 18:08:16 GMT 2023`
Record UNII	5A6HSK9TDT
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

BROMANAUTINE

Common Name

English

THEOPHYLLINE, 8-BROMO-, COMPD. WITH 2-(DIPHENYLMETHOXY)-N,N-DIMETHYLETHYLAMINE (1:1)

Systematic Name

English

1H-PURINE-2,6-DIONE, 8-BROMO-3,7-DIHYDRO-1,3-DIMETHYL-, COMPD. WITH 2-(DIPHENYLMETHOXY)-N,N-DIMETHYLETHANAMINE (1:1)

Systematic Name

English

ETHANAMINE, 2-(DIPHENYLMETHOXY)-N,N-DIMETHYL-, COMPD. WITH 8-BROMO-3,7-DIHYDRO-1,3-DIMETHYL-1H-PURINE-2,6-DIONE (1:1)

Systematic Name

English

1H-PURINE-2,6-DIONE, 8-BROMO-3,9-DIHYDRO-1,3-DIMETHYL-, COMPD. WITH 2-(DIPHENYLMETHOXY)-N,N-DIMETHYLETHANAMINE (1:1)

Systematic Name

English

Code System Code Type Description

CAS

3427-80-3

Created by admin on Sat Dec 16 18:08:16 GMT 2023 , Edited by admin on Sat Dec 16 18:08:16 GMT 2023

PRIMARY

FDA UNII

5A6HSK9TDT

Created by admin on Sat Dec 16 18:08:16 GMT 2023 , Edited by admin on Sat Dec 16 18:08:16 GMT 2023

PRIMARY

PUBCHEM

76959613

Created by admin on Sat Dec 16 18:08:16 GMT 2023 , Edited by admin on Sat Dec 16 18:08:16 GMT 2023

PRIMARY