Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 12Links: 12
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 10597
- Core Entity Id
- 14942
- Source Entity Count
- 1
- Preferred Name
- Aminopyrine
- Name En
- Pubchem Id
- 6009
- Smiles Canonical
- CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)C
- Molecular Formula
- C13H17N3O
- Molecular Weight
- 231.2990
- Inchikey
- RMMXTBMQSGEXHJ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C13H17N3O/c1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11/h5-9H,1-4H3
- Isomeric Smiles
- CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)C
- Cas Id
- Ob Score
- Mol Logp
- 1.5504
- Num H Donors
- 0
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.7850
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Aminopyrine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Aminopyrine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
aminopyrine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
4-Dimethylaminoantipyrine
Role
alias
Source
HERB_v2
Preferred
No
Name
4-Dimethylaminoantipyrine
Role
alias
Source
itcmdb_public
Preferred
No
Name
58-15-1
Role
alias
Source
HERB_v2
Preferred
No
Name
58-15-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
Amidazophene
Role
alias
Source
itcmdb_public
Preferred
No
Name
Amidazophene
Role
alias
Source
HERB_v2
Preferred
No
Name
Amidopyrazoline
Role
alias
Source
itcmdb_public
Preferred
No
Name
Amidopyrazoline
Role
alias
Source
HERB_v2
Preferred
No
Name
Amidopyrine
Role
alias
Source
HERB_v2
Preferred
No
Name
Amidopyrine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Aminopyrin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Aminopyrin
Role
alias
Source
HERB_v2
Preferred
No
Name
Dipyrine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Dipyrine
Role
alias
Source
HERB_v2
Preferred
No
Name
Pyramidon
Role
alias
Source
HERB_v2
Preferred
No
Name
Pyramidon
Role
alias
Source
itcmdb_public
Preferred
No
Name
aminophenazone
Role
alias
Source
HERB_v2
Preferred
No
Name
aminophenazone
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
4-Dimethylaminoantipyrine58-15-1AmidazopheneAmidopyrazolineAmidopyrineAminopyrinDipyrinePyramidonaminophenazone
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN015861
Npass
NPC20322
Tcmid
24553
Pub Chem
6009
Tcmbank
TCMBANKIN007165
Drug Bank
DB01424
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C13H17N3O/c1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11/h5-9H,1-4H3
Mol Wt
231.299
Smiles
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)C
Mol Log P
1.55042
In Ch Ikey
RMMXTBMQSGEXHJ-UHFFFAOYSA-N
Num Hdonors
0
Drug Likeness
0.785
Num Hacceptors
4
Isomeric Smiles
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)C
Canonical Smiles
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)C
Herb Alias Names
aminophenazoneAmidopyrine58-15-14-DimethylaminoantipyrineDipyrineAminopyrinAmidopyrazolineAmidazophenePyramidon
Molecular Weight
231.29 g/mol
Molecular Formula
C13H17N3O
Molecular Formula
C13H17N3O
Num Rotatable Bonds
2