Basic information
- Standard SMILES
Nc1nc(N)c2nc(-c3ccc(O)cc3)c(N)nc2n1- InChIKey
QNJVMSASTUDLGC-UHFFFAOYSA-N- Molecular formula
- C12H11N7O
- Average molar mass
- 269.26 g/mol
- Monoisotopic mass
- 269.10250797
Overview
active metabolite of triamterene; RN given refers to cpd with OH in para position
Names & identifiers
- Preferred name
- 4-Hydroxytriamterene
- IUPAC
- 4-(2,4,7-triaminopteridin-6-yl)phenol
- English name
- 4-hydroxytriamterene
- Molecular formula
- C12H11N7O
- Molecular weight
- 269.26
Names & synonyms
1226-52-44-Hydroxytriamterenep-Hydroxytriamterenepara-HydroxytriamterenePhenol, 4-(2,4,7-triamino-6-pteridinyl)-YPP1C921EFRefChem:9126134-Hydroxy Triamterene4-(2,4,7-TRIAMINOPTERIDIN-6-YL)PHENOL4-Hydroxy Triamterene-d4UNII-YPP1C921EFPhenol, 4-(2,4,7-triamino-6-pteridinyl)-; Phenol, p-(2,4,7-triamino-6-pteridinyl)- (7CI,8CI); 4-(2,4,7-Triamino-6-pteridinyl)phenol; 2,4,7-Triamino-6-(4-hydroxyphenyl)pteridine; 2,4,7-Triamino-6-(p-hydroxyphenyl)pteridine; p-Hydroxytriamterene
Show more names
Hydroxy TriamtereneTriamterene 4-HydroxyAminophenolidine impurity 9Triamterene Impurity 5 (Hydroxy Triamterene)4-(2,4,7-triamino-5H-pteridin-6-ylidene)cyclohexa-2,5-dien-1-one
CHEMBL3544821SCHEMBL10537075SCHEMBL15512756DTXSID00876722AKOS0302410462.4.7-Triamino-6-p-hydroxyphenylpteridinNS00115964Q27294645
Database identifiers
- CAS
1226-52-4- PubChem CID
- 71046
- DTXSID
DTXSID00876722- ChEMBL
CHEMBL3544821- UNII
- YPP1C921EF
- Nikkaji
- J1.604.101G
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 336
Experimental & physicochemical properties
LogP0.92
Physicochemical properties
- Melting point
- 300 °C · >300°C
- Boiling point
- 622.7 · 622.7±65.0 °C(Predicted)
- Density
- 1.612 · 1.612±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- soluble in DMSO
- form
- Solid
- pka
- 7.75 · 7.75±0.15(Predicted)
- color
- Light Brown
- FDA UNII
- 1 C921EF · YPP1C921EF
Chemistry & industry
Pharmacology
Metabolism/Metabolites4p-Hydroxytriamterene has known human metabolites that include Hydroxytriamterene sulfate.
Applications
UsesA metabolite of Triamterne, a diuretic agent.
Suppliers18 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
玺标（上海）科技有限公司18512111473 18512111473 · [email protected]
Moxin Chemicals+86-17320513646 +86-17320513646 · [email protected]
上海明褀化学有限公司86-21-60936353
Clearsynth Labs Limited+91-22-26355700 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
Cato Research Chemicals Inc.020-81960175 · [email protected]
深圳摩科生化科技有限公司18627923403 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
BOC Sciences16314854226 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
湖北摩科化学有限公司18627753421; 18627756402 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
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