Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Trial: 2Ingredient: 1Target: 12Links: 14
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 14298
- Core Entity Id
- 19060
- Source Entity Count
- 1
- Preferred Name
- Chlorphenamine
- Name En
- Pubchem Id
- 2725
- Smiles Canonical
- CN(C)CCC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2
- Molecular Formula
- C16H19ClN2
- Molecular Weight
- 274.7950
- Inchikey
- SOYKEARSMXGVTM-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3
- Isomeric Smiles
- CN(C)CCC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2
- Cas Id
- Ob Score
- Mol Logp
- 3.8186
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.8240
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Chlorphenamine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Chlorphenamine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
chlorphenamine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
132-22-9
Role
alias
Source
HERB_v2
Preferred
No
Name
132-22-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
Chlor-trimeton
Role
alias
Source
itcmdb_public
Preferred
No
Name
Chlor-trimeton
Role
alias
Source
HERB_v2
Preferred
No
Name
Chloropheniramine
Role
alias
Source
HERB_v2
Preferred
No
Name
Chloropheniramine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Chloropheniramine-d4
Role
alias
Source
HERB_v2
Preferred
No
Name
Chloropheniramine-d4
Role
alias
Source
itcmdb_public
Preferred
No
Name
Chlorophenylpyridamine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Chlorophenylpyridamine
Role
alias
Source
HERB_v2
Preferred
No
Name
Clorfeniramina
Role
alias
Source
itcmdb_public
Preferred
No
Name
Clorfeniramina
Role
alias
Source
HERB_v2
Preferred
No
Name
Haynon
Role
alias
Source
itcmdb_public
Preferred
No
Name
Haynon
Role
alias
Source
HERB_v2
Preferred
No
Name
Teldrin
Role
alias
Source
HERB_v2
Preferred
No
Name
Teldrin
Role
alias
Source
itcmdb_public
Preferred
No
Name
chlorpheniramine
Role
alias
Source
HERB_v2
Preferred
No
Name
chlorpheniramine
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
132-22-9Chlor-trimetonChloropheniramineChloropheniramine-d4ChlorophenylpyridamineClorfeniraminaHaynonTeldrinchlorpheniramine
Cross References
Trusted external identifiers retained for this final record.
Hit
C1232
Herb
HBIN020386
Npass
NPC315348
Tcmid
24690
Pub Chem
2725
Tcmbank
TCMBANKIN033746
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3
Mol Wt
274.795
Smiles
CN(C)CCC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2
Mol Log P
3.818600000000003
In Ch Ikey
SOYKEARSMXGVTM-UHFFFAOYSA-N
Num Hdonors
0
Drug Likeness
0.824
Num Hacceptors
2
Isomeric Smiles
CN(C)CCC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2
Canonical Smiles
CN(C)CCC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2
Herb Alias Names
chlorpheniramine132-22-9ChlorophenylpyridamineTeldrinChloropheniramineClorfeniraminaHaynonChloropheniramine-d4Chlor-trimeton
Molecular Weight
274.79 g/mol
Molecular Formula
C16H19ClN2
Molecular Formula
C16H19ClN2
Num Rotatable Bonds
5