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Details

Stereochemistry ACHIRAL
Molecular Formula C16H19N5O2.ClH
Molecular Weight 349.815
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7-[2-(Benzylamino)ethyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione hydrochloride

SMILES

Cl.CN1C2=C(N(CCNCC3=CC=CC=C3)C=N2)C(=O)N(C)C1=O

InChI

InChIKey=ZDYNLEXCQDOPCC-UHFFFAOYSA-N
InChI=1S/C16H19N5O2.ClH/c1-19-14-13(15(22)20(2)16(19)23)21(11-18-14)9-8-17-10-12-6-4-3-5-7-12;/h3-7,11,17H,8-10H2,1-2H3;1H

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C16H19N5O2
Molecular Weight 313.3544
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 12:16:28 GMT 2023
Edited
by admin
on Sat Dec 16 12:16:28 GMT 2023
Record UNII
PZQ7C4AJA4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
7-[2-(Benzylamino)ethyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione hydrochloride
Systematic Name English
Theophylline, 7-[2-(benzylamino)ethyl]-, monohydrochloride
Systematic Name English
Theophylline, 7-[2-(benzylamino)ethyl]-, hydrochloride
Systematic Name English
1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-[2-[(phenylmethyl)amino]ethyl]-, hydrochloride
Common Name English
1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-[2-[(phenylmethyl)amino]ethyl]-, hydrochloride (1:1)
Systematic Name English
7-[2-(Benzylamino)ethyl]-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione monohydrochloride
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID00154052
Created by admin on Sat Dec 16 12:16:28 GMT 2023 , Edited by admin on Sat Dec 16 12:16:28 GMT 2023
PRIMARY
FDA UNII
PZQ7C4AJA4
Created by admin on Sat Dec 16 12:16:28 GMT 2023 , Edited by admin on Sat Dec 16 12:16:28 GMT 2023
PRIMARY
CAS
1236-36-8
Created by admin on Sat Dec 16 12:16:28 GMT 2023 , Edited by admin on Sat Dec 16 12:16:28 GMT 2023
PRIMARY
PUBCHEM
121079
Created by admin on Sat Dec 16 12:16:28 GMT 2023 , Edited by admin on Sat Dec 16 12:16:28 GMT 2023
PRIMARY
ECHA (EC/EINECS)
214-977-8
Created by admin on Sat Dec 16 12:16:28 GMT 2023 , Edited by admin on Sat Dec 16 12:16:28 GMT 2023
PRIMARY
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