化工社化工社化学情報印刷レポート · 研究参考用

HCID 4621作成日：2026年11月2日

オキセサゼイン

オキセサゼイン · オキセタカイン · オキセタザイン · オキセサゼイン (JP17) · ムコキシン · 3-[6-ヒドロキシ-6-[5′-(1-ヒドロキシオクタデシル)-3′-ヒドロキシ-2,2′-ビオキソラン-5-イル]ヘキシル]-5α-メチルフラン-2(5H)-オン · (5S)-3-{6-ヒドロキシ-6-[3'-ヒドロキシ-5'-(1-ヒドロキシオクタデシル)-[2,2'-ビオキソラン]-5-イル]ヘキシル}-5-メチル-2,5-ジヒドロフラン-2-オン · OXETACAINE

https://huagongshe.com/ja/chemical/4621

識別子と物理属性

CAS No.	126-27-2
分子式	C28H41N3O3
平均分子量	467.6 g/mol
単同位体質量	467.31479218 g/mol
SMILES	CN(C(=O)CN(CCO)CC(=O)N(C)C(C)(C)Cc1ccccc1)C(C)(C)Cc1ccccc1
InChIKey	FTLDJPRFCGDUFH-UHFFFAOYSA-N
PubChem CID	4621
ChEMBL	CHEMBL127592
ChEBI	CHEBI:31947
EC No.	204-780-5
DTXSID	DTXSID0025818
現地名	オキセサゼイン

化学・物理的性質

XLogP	3.8
極性表面積	64.1
水素結合供与体数	1
水素結合受容体数	4
回転可能結合数	12
重原子数	34
形式電荷	0
複雑度	585
医薬品	Pharmaceuticals -> Listed in ZINC15
溶解度	less than 1 mg/mL at 73 °F (NTP, 1992)<0.1 g/100 ml at 23 ºC水にほとんど溶けません。メタノールに溶けやすい。酢酸エチルに溶ける。<0.1 g/100 mL で 23 ºC
Human Drugs	Pharmaceuticals
融点	219 to 220 °F (NTP, 1992)100-101 ºC104-105°C
Physical Description	Oxethazaine is a white powder. (NTP, 1992)
Dissociation Constants	6.25
Collision Cross Section	215.22 Å² [M+Na]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]213.7 Å² [M+H]+ [CCS Type: TW
沸点	570.1°C (rough estimate)
密度	1.0974 (rough estimate)
屈折率	1.7800 (estimate)
貯蔵条件	Refrigerator
pKa（酸解離定数）	14.62±0.10(Predicted)
外観・状態	Solid
色	ホワイトからオフホワイト
主な用途	法医学と毒物学医薬品（低分子化合物）獣医
InChI	1S/C28H41N3O3/c1-27(2,19-23-13-9-7-10-14-23)29(5)25(33)21-31(17-18-32)22-26(34)30(6)28(3,4)20-24-15-11-8-12-16-24/h7-16,32H,17-22H2,1-6H3
InChIKey	FTLDJPRFCGDUFH-UHFFFAOYSA-N
SMILES	CN(C(=O)CN(CCO)CC(=O)N(C)C(C)(C)Cc1ccccc1)C(C)(C)Cc2ccccc2
CAS データベース	126-27-2(CAS DataBase Reference)
EPAの化学物質情報	Oxethazaine (126-27-2)

化学的特性

White Solid

安全性と法規制

GHS 分類	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory.
その他の安全情報	IMAP assessments - Acetamide, 2,2'-[(2-hydroxyethyl)imino]bis[N-(1,1-dimethyl-2-phenylethyl)-N-methyl]-: Environment tier I assessment
火災危険	Flash point data are not available for this chemical, but it is probably combustible. (NTP, 1992)
反応性グループ	Alcohols and Polyols
Reactivity Profile	A hydroxylated amide. Organic amides/imides react with azo and diazo compounds to generate toxic gases. Flammable gases are formed by the reaction of organic amides/imides with strong reducing agents. Amides are very weak bases (weaker than water). Imides are less basic yet and in fact react with strong bases to form salts. That is, they can react as acids. Mixing amides with dehydrating agents such as P2O5 or SOCl2 generates the corresponding nitrile. The combustion of these compounds generates mixed oxides of nitrogen (NOx).
Air and Water Reactions	Insoluble in water.
Hazard Classes and Categories	Acute Tox. 4 (100%)
消火	Fires involving this compound should be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
応急処置	EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
非火災時の漏出対応	SMALL SPILLS AND LEAKAGE: You should dampen the solid spill material with acetone, then transfer the dampened material to a suitable container. Use absorbent paper dampened with acetone to pick up any remaining material. Seal your contaminated clothing and the adsorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone followed by washing with a strong soap and water solution. Do not reenter the contaminate area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
Personal Protective Equipment (PPE)	RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)
水環境危害等級（WGK）	3
RTECS 番号	AC3325000
毒性	LD50 oral in rat: 1gm/kg
危険文句（R）	22
危険表示	Xn
安全措置（S）	36
危険等級	Acute Tox. 4 Oral
貯蔵分類	11 - Combustible Solids

用途

ガストリン分泌抑制作用を示します。

用途

ガストリン分泌抑制作用を示します。

使用

A potent local anesthetic that is active even in acidic conditions. It is used (usually in combination with an antacid) for the relief of pain associated with peptic ulcer disease or esophagitis.

一般的な説明

White powder.

オキセサゼイン

識別子と物理属性

CAS No.

126-27-2

分子式

C28H41N3O3

平均分子量

467.6 g/mol

単同位体質量

467.31479218 g/mol

SMILES

CN(C(=O)CN(CCO)CC(=O)N(C)C(C)(C)Cc1ccccc1)C(C)(C)Cc1ccccc1

InChIKey

FTLDJPRFCGDUFH-UHFFFAOYSA-N

PubChem CID

4621

ChEMBL

CHEMBL127592

ChEBI

CHEBI:31947

EC No.

204-780-5

DTXSID

DTXSID0025818

現地名

オキセサゼイン

化学・物理的性質

XLogP

3.8

極性表面積

64.1

水素結合供与体数

水素結合受容体数

回転可能結合数

重原子数

形式電荷

複雑度

585

医薬品

Pharmaceuticals -> Listed in ZINC15

溶解度

less than 1 mg/mL at 73 °F (NTP, 1992)<0.1 g/100 ml at 23 ºC水にほとんど溶けません。メタノールに溶けやすい。酢酸エチルに溶ける。<0.1 g/100 mL で 23 ºC

Human Drugs

Pharmaceuticals

融点

219 to 220 °F (NTP, 1992)100-101 ºC104-105°C

Physical Description

Oxethazaine is a white powder. (NTP, 1992)

Dissociation Constants

6.25

Collision Cross Section

215.22 Å² [M+Na]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]213.7 Å² [M+H]+ [CCS Type: TW

沸点

570.1°C (rough estimate)

密度

1.0974 (rough estimate)

屈折率

1.7800 (estimate)

貯蔵条件

Refrigerator

pKa（酸解離定数）

14.62±0.10(Predicted)

外観・状態

Solid

色

ホワイトからオフホワイト

主な用途

法医学と毒物学医薬品（低分子化合物）獣医

InChI

1S/C28H41N3O3/c1-27(2,19-23-13-9-7-10-14-23)29(5)25(33)21-31(17-18-32)22-26(34)30(6)28(3,4)20-24-15-11-8-12-16-24/h7-16,32H,17-22H2,1-6H3

InChIKey

FTLDJPRFCGDUFH-UHFFFAOYSA-N

SMILES

CN(C(=O)CN(CCO)CC(=O)N(C)C(C)(C)Cc1ccccc1)C(C)(C)Cc2ccccc2

CAS データベース

126-27-2(CAS DataBase Reference)

EPAの化学物質情報

Oxethazaine (126-27-2)

化学的特性

White Solid

安全性と法規制

GHS 分類

WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory.

その他の安全情報

IMAP assessments - Acetamide, 2,2'-[(2-hydroxyethyl)imino]bis[N-(1,1-dimethyl-2-phenylethyl)-N-methyl]-: Environment tier I assessment

火災危険

Flash point data are not available for this chemical, but it is probably combustible. (NTP, 1992)

反応性グループ

Alcohols and Polyols

Reactivity Profile

A hydroxylated amide. Organic amides/imides react with azo and diazo compounds to generate toxic gases. Flammable gases are formed by the reaction of organic amides/imides with strong reducing agents. Amides are very weak bases (weaker than water). Imides are less basic yet and in fact react with strong bases to form salts. That is, they can react as acids. Mixing amides with dehydrating agents such as P2O5 or SOCl2 generates the corresponding nitrile. The combustion of these compounds generates mixed oxides of nitrogen (NOx).

Air and Water Reactions

Insoluble in water.

Hazard Classes and Categories

Acute Tox. 4 (100%)

消火

Fires involving this compound should be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)

応急処置

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

非火災時の漏出対応

SMALL SPILLS AND LEAKAGE: You should dampen the solid spill material with acetone, then transfer the dampened material to a suitable container. Use absorbent paper dampened with acetone to pick up any remaining material. Seal your contaminated clothing and the adsorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone followed by washing with a strong soap and water solution. Do not reenter the contaminate area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Personal Protective Equipment (PPE)

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

水環境危害等級（WGK）

RTECS 番号

AC3325000

毒性

LD50 oral in rat: 1gm/kg

危険文句（R）

危険表示

安全措置（S）

危険等級

Acute Tox. 4 Oral

貯蔵分類

11 - Combustible Solids

用途

ガストリン分泌抑制作用を示します。

用途

ガストリン分泌抑制作用を示します。

使用

A potent local anesthetic that is active even in acidic conditions. It is used (usually in combination with an antacid) for the relief of pain associated with peptic ulcer disease or esophagitis.

一般的な説明

White powder.