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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 of BROMANAUTINE

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
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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