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Details

Stereochemistry RACEMIC
Molecular Formula C18H25N5O4
Molecular Weight 375.4222
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NELDAZOSIN

SMILES

COC1=CC2=C(C=C1OC)C(N)=NC(=N2)N3CCN(CC3)C(=O)CC(C)O

InChI

InChIKey=IOSMPEJNAQZKJT-UHFFFAOYSA-N
InChI=1S/C18H25N5O4/c1-11(24)8-16(25)22-4-6-23(7-5-22)18-20-13-10-15(27-3)14(26-2)9-12(13)17(19)21-18/h9-11,24H,4-8H2,1-3H3,(H2,19,20,21)

HIDE SMILES / InChI

Molecular Formula C18H25N5O4
Molecular Weight 375.4222
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:40:53 GMT 2023
Edited
by admin
on Fri Dec 15 15:40:53 GMT 2023
Record UNII
G3E7RO42MB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NELDAZOSIN
INN  
INN  
Official Name English
PIPERAZINE, 1-(4-AMINO-6,7-DIMETHOXY-2-QUINAZOLINYL)-4-(3-HYDROXY-1-OXOBUTYL)-
Systematic Name English
1-BUTANONE, 1-(4-(4-AMINO-6,7-DIMETHOXY-2-QUINAZOLINYL)-1-PIPERAZINYL)-3-HYDROXY-
Systematic Name English
neldazosin [INN]
Common Name English
(±)-1-(4-AMINO-6,7-DIMETHOXY-2-QUINAZOLINYL)-4-(3-HYDROXYBUTYRYL)PIPERAZINE
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C270
Created by admin on Fri Dec 15 15:40:53 GMT 2023 , Edited by admin on Fri Dec 15 15:40:53 GMT 2023
Code System Code Type Description
WIKIPEDIA
Neldazosin
Created by admin on Fri Dec 15 15:40:53 GMT 2023 , Edited by admin on Fri Dec 15 15:40:53 GMT 2023
PRIMARY
PUBCHEM
65908
Created by admin on Fri Dec 15 15:40:53 GMT 2023 , Edited by admin on Fri Dec 15 15:40:53 GMT 2023
PRIMARY
SMS_ID
100000084129
Created by admin on Fri Dec 15 15:40:53 GMT 2023 , Edited by admin on Fri Dec 15 15:40:53 GMT 2023
PRIMARY
FDA UNII
G3E7RO42MB
Created by admin on Fri Dec 15 15:40:53 GMT 2023 , Edited by admin on Fri Dec 15 15:40:53 GMT 2023
PRIMARY
ChEMBL
CHEMBL2106898
Created by admin on Fri Dec 15 15:40:53 GMT 2023 , Edited by admin on Fri Dec 15 15:40:53 GMT 2023
PRIMARY
EVMPD
SUB09184MIG
Created by admin on Fri Dec 15 15:40:53 GMT 2023 , Edited by admin on Fri Dec 15 15:40:53 GMT 2023
PRIMARY
NCI_THESAURUS
C66226
Created by admin on Fri Dec 15 15:40:53 GMT 2023 , Edited by admin on Fri Dec 15 15:40:53 GMT 2023
PRIMARY
CAS
109713-79-3
Created by admin on Fri Dec 15 15:40:53 GMT 2023 , Edited by admin on Fri Dec 15 15:40:53 GMT 2023
PRIMARY
INN
6315
Created by admin on Fri Dec 15 15:40:53 GMT 2023 , Edited by admin on Fri Dec 15 15:40:53 GMT 2023
PRIMARY
EPA CompTox
DTXSID40869512
Created by admin on Fri Dec 15 15:40:53 GMT 2023 , Edited by admin on Fri Dec 15 15:40:53 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY