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Details

Stereochemistry ACHIRAL
Molecular Formula C17H23N3O.2C7H7BrN4O2.2C4H11NO.C4H4O4
Molecular Weight 1097.8496
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of BROMALEATE

SMILES

CN(C)CCN(Cc1ccc(cc1)OC)c2ccccn2.Cn1c2c(c(=O)n(C)c1=O)nc(Br)[nH]2.Cn1c2c(c(=O)n(C)c1=O)nc(Br)[nH]2.CC(C)(CO)N.CC(C)(CO)N.C(\[H])(=C(\[H])/C(=O)O)/C(=O)O

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 C4H11NO
Molecular Weight 89.1364
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C4H4O4
Molecular Weight 116.0723
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Molecular Formula C17H23N3O
Molecular Weight 285.3847
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C7H7BrN4O2
Molecular Weight 259.0599
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 Jun 26 00:41:35 UTC 2021
Edited
by admin
on Sat Jun 26 00:41:35 UTC 2021
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 Sat Jun 26 00:41:35 UTC 2021 , Edited by admin on Sat Jun 26 00:41:35 UTC 2021
PRIMARY
PUBCHEM
76959156
Created by admin on Sat Jun 26 00:41:35 UTC 2021 , Edited by admin on Sat Jun 26 00:41:35 UTC 2021
PRIMARY
FDA UNII
QFC5BM98OO
Created by admin on Sat Jun 26 00:41:35 UTC 2021 , Edited by admin on Sat Jun 26 00:41:35 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
PARENT -> SALT/SOLVATE
PARENT -> SALT/SOLVATE
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY
ACTIVE MOIETY