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Details

Stereochemistry ACHIRAL
Molecular Formula C8H9N5
Molecular Weight 175.1906
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 9-(1E)-1-Propen-1-yl-9H-purin-6-amine

SMILES

C\C=C\N1C=NC2=C(N)N=CN=C12

InChI

InChIKey=ACWCANXGLNLMJB-NSCUHMNNSA-N
InChI=1S/C8H9N5/c1-2-3-13-5-12-6-7(9)10-4-11-8(6)13/h2-5H,1H3,(H2,9,10,11)/b3-2+

HIDE SMILES / InChI

Molecular Formula C8H9N5
Molecular Weight 175.1906
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 01:03:07 UTC 2023
Edited
by admin
on Sat Dec 16 01:03:07 UTC 2023
Record UNII
HF7RUR5G44
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
9-(1E)-1-Propen-1-yl-9H-purin-6-amine
Systematic Name English
TENOFOVIR DISOPROXIL IMPURITY K [WHO-IP]
Common Name English
TENOFOVIR DISOPROXIL RELATED COMPOUND B
USP-RS  
Common Name English
9H-PURIN-6-AMINE, 9-(1-PROPEN-1-YL)-
Systematic Name English
9H-PURIN-6-AMINE, 9-(1-PROPENYL)- ADENINE, 9-PROPENYL-
Systematic Name English
TENOFOVIR DISOPROXIL RELATED COMPOUND B [USP-RS]
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID501296376
Created by admin on Sat Dec 16 01:03:07 UTC 2023 , Edited by admin on Sat Dec 16 01:03:07 UTC 2023
PRIMARY
FDA UNII
HF7RUR5G44
Created by admin on Sat Dec 16 01:03:07 UTC 2023 , Edited by admin on Sat Dec 16 01:03:07 UTC 2023
PRIMARY
PUBCHEM
71812668
Created by admin on Sat Dec 16 01:03:07 UTC 2023 , Edited by admin on Sat Dec 16 01:03:07 UTC 2023
PRIMARY
CAS
1446486-33-4
Created by admin on Sat Dec 16 01:03:07 UTC 2023 , Edited by admin on Sat Dec 16 01:03:07 UTC 2023
PRIMARY
CAS
4121-40-8
Created by admin on Sat Dec 16 01:03:07 UTC 2023 , Edited by admin on Sat Dec 16 01:03:07 UTC 2023
NON-SPECIFIC STEREOCHEMISTRY
RS_ITEM_NUM
1643623
Created by admin on Sat Dec 16 01:03:07 UTC 2023 , Edited by admin on Sat Dec 16 01:03:07 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
The production method is validated to ensure that the substance, if tested, would comply with: ? a limit of not more than 5 ppm for the mutagenic impurity 9-propenyladenine (impurity K), which may be a synthesis related substance, using a suitable method.
PARENT -> IMPURITY