Pectamol

HCID 40384

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Basic information

CAS: 52432-72-1
Standard SMILES: CC[NH+](CC)CCOCCOC(=O)C(CC)(CC)c1ccccc1.O=C([O-])CC(O)(CC(=O)O)C(=O)O
InChIKey: KVKJFNUGVOFNGU-UHFFFAOYSA-N
Molecular formula: C26H41NO10
Average molar mass: 527.6 g/mol
Monoisotopic mass: 527.2730465

Overview

Names & identifiers

Preferred name: Pectamol
IUPAC: 3-carboxy-3,5-dihydroxy-5-oxopentanoate;diethyl-[2-[2-(2-ethyl-2-phenylbutanoyl)oxyethoxy]ethyl]azanium
English name: OXELADIN CITRATE
Molecular formula: C20H33NO3.C6H8O7
Molecular weight: 527.61

Names & synonyms

PectamolPsxeladine3-carboxy-3,5-dihydroxy-5-oxopentanoate;diethyl-[2-[2-(2-ethyl-2-phenylbutanoyl)oxyethoxy]ethyl]azaniumSilopentolTussilisinBatorilBronchellEthochlonHihustanPectussilDorexNeobex

Show more names

Oxeladineer,citrate(1:1)OXELADIN CITRATEoxeladinecitrateOXELADIN CITRATE SALTOXELADINCITRATE(FORR&DONLY)oxeladin dihydrogen citrateOxeladin hydrogen citrate CRSOxeladin citrate, 10 mM in DMSOOxeladincitrate/Oxeladinidihydrogencitras

Hustopan OxMarukofon-AEINECS 257-910-8UNII-5AEV5C340CAKOS026749775NSC 759231BUTYRIC ACID, 2-ETHYL-2-PHENYL-, 2-(2-(DIETHYLAMINO)ETHOXY)ETHYL ESTER, CITRATEBenzeneacetic acid, alpha,alpha-diethyl-, 2-(2-(diethylamino)ethoxy)ethyl ester, citrate (1:1)

Database identifiers

CAS: 52432-72-1
PubChem CID: 40384

Properties

Computed structural properties

Topological polar surface area: 175 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 10
Rotatable bonds: 17
Heavy atoms: 37
Formal charge: 0
Complexity: 572

Physicochemical properties

Melting point: 90 · 90-91°
storage temp.: Inert atmosphere,Room Temperature
solubility: Freely soluble in water, slightly to very slightly soluble in ethyl acetate.
form: Solid
color: White to off-white
Major Application: forensics and toxicologypharmaceutical (small molecule)
InChIKey: KVKJFNUGVOFNGU-UHFFFAOYSA-N
SMILES: OC(=O)CC(O)(CC(O)=O)C(O)=O.CCN(CC)CCOCCOC(=O)C(CC)(CC)c1ccccc1
FDA UNII: 5 AEV5C340C · 5AEV5C340C
UNSPSC Code: 41116107 · 41116107
NACRES: 24 · NA.24
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 301 · H301+H311+H331
Precautionary statements: 280 · P280-P301+P310+P330-P302+P352+P312-P304+P340+P311
PPE: 2 · Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
Hazard Codes: T
Risk Statements: 23 · 23/24/25
Safety Statements: 36 · 36/37/39-45
RIDADR: 2811 · UN 2811 6.1/PG 3
WGK Germany: 3 · 3
RTECS: 1760000 · ET1760000
Storage Class: 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: 3 DermalAcute · Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 Oral

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

PPE: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
wgk: 3
rtecs: ET1760000
ridadr: UN 2811 6.1/PG 3
risk_code: 23/24/25
Signal word: Danger
Symbol(GHS): GHS06
hazard_code: T
safety_code: 36/37/39-45
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard statements: H301+H311+H331
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 Oral
Precautionary statements: P280-P301+P310+P330-P302+P352+P312-P304+P340+P311

Chemistry & industry

Applications

UsesCough suppressant.

Suppliers50 total

艾吉析科技（上海）有限公司17717235263 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]

Nantong HI-FUTURE Biology Co., Ltd.+86-18051384581 · [email protected]

LGM Pharma1-(800)-881-8210 · [email protected]

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Compound notes

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