Molecular properties
- Formula
- C16H16ClNO3
- Molar mass
- 305.76 g·mol−1
- Exact mass
- 305.0819 Da
- 9
- PubChem CID
- 3341
Molecule record
9-chloro-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol
C16H16ClNO3
305.76 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Aromatic ring
Aryl halide
Phenol
Secondary amine
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 1H-3-Benzazepine-7,8-diol, 6-chloro-2,3,4,5-tetrahydro-1-(4-hydroxyphenyl)-
- 6-chloro-1-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol
- 67227-56-9
- C01CA19
- CAS-67227-56-9
- CHEBI:5002
- Carlacor
- Carlacor (TN)
Show all 24 synonyms
- DTXCID8023896
- DTXSID0043896
- Fenoldopam (INN)
- Fenoldopam [INN:BAN]
- Fenoldopamum
- Fenoldopamum [Latin]
- INU8H2KAWG
- MLS001401388
- NCGC00015444-04
- RefChem:56465
- SK&F-82526J
- SKF 82526
- SKF82526
- SKF82526J
- UNII-INU8H2KAWG
- fenoldopam
Structure identifiers
- Canonical SMILES
- Oc1ccc(C2CNCCc3c2cc(O)c(O)c3Cl)cc1
- Isomeric SMILES
- C1CNCC(C2=CC(=C(C(=C21)Cl)O)O)C3=CC=C(C=C3)O
- InChI
- InChI=1S/C16H16ClNO3/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21/h1-4,7,13,18-21H,5-6,8H2
- InChIKey
- TVURRHSHRRELCG-UHFFFAOYSA-N
- PubChem CID
- 3341
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for 9-chloro-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 9-chloro-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.