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Details

Stereochemistry ACHIRAL
Molecular Formula C17H23N3O.2C7H7BrN4O2.2C4H11NO.C4H4O4
Molecular Weight 1097.849
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of BROMALEATE

SMILES

CC(C)(N)CO.CC(C)(N)CO.OC(=O)\C=C/C(O)=O.CN1C2=C(NC(Br)=N2)C(=O)N(C)C1=O.CN3C4=C(NC(Br)=N4)C(=O)N(C)C3=O.COC5=CC=C(CN(CCN(C)C)C6=CC=CC=N6)C=C5

InChI

InChIKey=WQDAZEVNOKYARY-TUXKUCLYSA-N
InChI=1S/C17H23N3O.2C7H7BrN4O2.2C4H11NO.C4H4O4/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15;2*1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14;2*1-4(2,5)3-6;5-3(6)1-2-4(7)8/h4-11H,12-14H2,1-3H3;2*1-2H3,(H,9,10);2*6H,3,5H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;;;;;2-1-

HIDE SMILES / InChI

Molecular Formula C17H23N3O
Molecular Weight 285.384
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C4H4O4
Molecular Weight 116.0722
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Molecular Formula C4H11NO
Molecular Weight 89.1362
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C7H7BrN4O2
Molecular Weight 259.06
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Oct 22 19:51:04 UTC 2019
Edited
by admin
on Tue Oct 22 19:51:04 UTC 2019
Record UNII
QFC5BM98OO
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BROMALEATE
Common Name English
NEOBROMTH
Brand Name English
1,2-ETHANEDIAMINE, N-((4-METHOXYPHENYL)METHYL)-N',N'-DIMETHYL-N-2-PYRIDINYL-, COMPD. WITH 2-AMINO-2-METHYL-1-PROPANOL AND 8-BROMO-3,7-DIHYDROXY-1,3-DIMETHYL-1H-PURINE-2,6-DIONE (2Z)-2-BUTENEDIOATE (SALT) (1:2:2:1)
Common Name English
THEOPHYLLINE, 8-BROMO-, COMPD. WITH 2-AMINO-2-METHYL-1-PROPANOL, 2-((2-(DIMETHYLAMINO)ETHYL)(P-METHOXYBENZYL)AMINO)PYRIDINE AND MALEIC ACID (2:2:1:1)
Common Name English
NEOPARBROM
Brand Name English
NEOPYRAPAR
Brand Name English
Code System Code Type Description
CAS
7460-15-3
Created by admin on Tue Oct 22 19:51:05 UTC 2019 , Edited by admin on Tue Oct 22 19:51:05 UTC 2019
PRIMARY
PUBCHEM
76959156
Created by admin on Tue Oct 22 19:51:05 UTC 2019 , Edited by admin on Tue Oct 22 19:51:05 UTC 2019
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
PARENT -> SALT/SOLVATE
PARENT -> SALT/SOLVATE
PARENT -> SALT/SOLVATE
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ACTIVE MOIETY
ACTIVE MOIETY