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Details

Stereochemistry ACHIRAL
Molecular Formula C12H13Cl2N3O2.BrH
Molecular Weight 383.068
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ETHYL 2-(5,6-DICHLORO-2-IMINO-1,2-DIHYDROQUINAZOLIN-3(4H )-YL)ACETATE HYDROBROMIDE

SMILES

Br.CCOC(=O)CN1CC2=C(NC1=N)C=CC(Cl)=C2Cl

InChI

InChIKey=UIACKXKZPDPMBY-UHFFFAOYSA-N
InChI=1S/C12H13Cl2N3O2.BrH/c1-2-19-10(18)6-17-5-7-9(16-12(17)15)4-3-8(13)11(7)14;/h3-4H,2,5-6H2,1H3,(H2,15,16);1H

HIDE SMILES / InChI

Molecular Formula BrH
Molecular Weight 80.912
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C12H13Cl2N3O2
Molecular Weight 302.157
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 06:48:58 GMT 2023
Edited
by admin
on Sat Dec 16 06:48:58 GMT 2023
Record UNII
12WV68THBT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ETHYL 2-(5,6-DICHLORO-2-IMINO-1,2-DIHYDROQUINAZOLIN-3(4H )-YL)ACETATE HYDROBROMIDE
Systematic Name English
3(4H)-QUINAZOLINEACETIC ACID, 2-AMINO-5,6-DICHLORO-, ETHYL ESTER, MONOHYDROBROMIDE
Common Name English
ANAGRELIDE RELATED COMPOUND C [USP-RS]
Common Name English
3(4H)-QUINAZOLINEACETIC ACID, 2-AMINO-5,6-DICHLORO-, ETHYL ESTER, HYDROBROMIDE (1:1)
Common Name English
Code System Code Type Description
FDA UNII
12WV68THBT
Created by admin on Sat Dec 16 06:48:58 GMT 2023 , Edited by admin on Sat Dec 16 06:48:58 GMT 2023
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PUBCHEM
9999996
Created by admin on Sat Dec 16 06:48:58 GMT 2023 , Edited by admin on Sat Dec 16 06:48:58 GMT 2023
PRIMARY
EPA CompTox
DTXSID10220651
Created by admin on Sat Dec 16 06:48:58 GMT 2023 , Edited by admin on Sat Dec 16 06:48:58 GMT 2023
PRIMARY
CAS
70381-75-8
Created by admin on Sat Dec 16 06:48:58 GMT 2023 , Edited by admin on Sat Dec 16 06:48:58 GMT 2023
PRIMARY
RS_ITEM_NUM
1034771
Created by admin on Sat Dec 16 06:48:58 GMT 2023 , Edited by admin on Sat Dec 16 06:48:58 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE