Basic information
- CAS
54767-75-8- Standard SMILES
CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1- InChIKey
BFCDFTHTSVTWOG-YLJYHZDGSA-N- Molecular formula
- C20H35NOS
- Average molar mass
- 337.6 g/mol
- Monoisotopic mass
- 337.24393591
Overview
(1S,2R)-suloctidil is a suloctidil that has (1S,2R)-configuration.
Names & identifiers
- Preferred name
- Suloctidil (USAN/INN)
- IUPAC
- (1S,2R)-2-(octylamino)-1-(4-propan-2-ylsulfanylphenyl)propan-1-ol
- English name
- SULOCTIDIL
- Molecular formula
- C20H35NOS
- Molecular weight
- 337.56
Names & synonyms
Suloctidil (USAN/INN)RefChem:1099290MLS000028666(1S,2R)-2-(octylamino)-1-(4-propan-2-ylsulfanylphenyl)propan-1-ol(1S,2R)-2-(octylamino)-1-[4-(propan-2-ylthio)phenyl]-1-propanolSMR000058933SuloctdilCAS-54767-75-8(1S,2R)-1-[4-(methylethylthio)phenyl]-2-(octylamino)propan-1-olNCGC00018301-02(1S,2R)-suloctidilOpera_ID_1631
Show more names
cp556sEusedonSuloctonSULOCTIDILsuloctidylerythro-benzylalcohoSuloctidil, 10 mM in DMSOerythro-1-(4-isopropylthiophenyl)-2-n-octylaminopropanolSuloctidil,Inhibitor,Na+/K+ ATPase,inhibit,Sodium potassium pumperythro-p-(isopropylthio)-alpha-(1-(octylamino)ethyl)benzylalcohol
Prestwick3_000421BSPBio_000402MLS001148124MLS002222281MLS002695978GNF-Pf-1859BPBio1_000444cid_657255
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 12
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 277
Physicochemical properties
- Melting point
- 62.5 °C · 62.5°C
- Boiling point
- 467.3 · 467.3±35.0 °C(Predicted)
- Density
- 0.988 · 0.9880 (rough estimate)
- refractive index
- 1.58 · 1.5800 (estimate)
- storage temp.
- 2 · 2-8°C
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 13.91 · 13.91±0.20(Predicted)
- color
- Off-White
- FDA UNII
- 1 N1XY17K · XV1N1XY17K
- ATC code
- 4 AX19 · C04AX19
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- Hazard Codes
- Xn
- Risk Statements
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- rtecs
- DO8910000
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 36
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
UsesVasodilator (peripheral).
UsesSuloctidil is a relatively weak nonselective cyclooxygenase inhibitor with inhibitory effect on platelet aggregation.
Suppliers23 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
斯百全化学（上海）有限公司021-021-021-67601398-809-809-809 15221380277 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海麦克林生化科技股份有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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