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Pimelic acid

Pimelic acid structure

CAS No:
111-16-0
Formula:
C7H12O4
Chemical Name:
Pimelic acid
Synonyms:
Heptanedioic acid;Pimelic acid;1,7-Heptanedioic acid;1,5-Pentanedicarboxylic acid;Pileric acid;NSC 30112;Pimeric acid
Categories:
Active Pharmaceutical Ingredients > Other Chemical Drugs

Description

Pimelic acid is the organic compound and its derivatives are involved in the biosynthesis of the amino acid called lysine.

OtherSolid|Solid

Pimelic acid is an alpha,omega-dicarboxylic acid that is pentane with two carboxylic acid groups at positions C-1 and C-5. It has a role as an Escherichia coli metabolite and a Daphnia magna metabolite. It is an alpha,omega-dicarboxylic acid and a lipid. It is a conjugate acid of a pimelate and a pimelate(1-).|A group of compounds that are derivatives of heptanedioic acid with the general formula R-C7H11O4.

Pimelic acid Basic Attributes

Molecular Weight：

160.17

Exact Mass：

160.17

EC Number：

203-840-8

UNII：

BZQ96WX25F

NSC Number：

30112

DSSTox ID：

DTXSID5021598

HScode：

2917190090

Characteristics

PSA：

74.6

XLogP3：

0.5

Appearance：

OtherSolid

Density：

1.0119 g/cm³ @ Temp: 4 °C

Melting Point：

106 °C

Boiling Point：

342 °C

Flash Point：

181.9±19.7 °C

Refractive Index：

1.476

Water Solubility：

50.0 mg/mL

Storage Conditions：

Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Vapor Pressure：

9.00e-08 mmHg

PKA：

4.51(at 25 °C)

Dissociation Constants：

4.51 (at 25 °C)

Collision Cross Section：

129.29 Å² [M-H]- [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|140 Å² [M+Na]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|130.9 Å² [M-H]- [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|134.4 Å² [M+Na-2H]- [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|134.7 Å² [M-2H+Na]-

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S36

RTECS Number：

TK3677000

Marks：

Xi:Irritant;

Stability/Shelf Life：

Stable. Incompatible with oxidizing agents, bases. Combustible.

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (90.91%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 62 companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

Acid, Pimelic

Pimelic acid Use and Manufacturing

Uses

Lubricants and lubricant additives

Manufacturing Info：

Petroleum lubricating oil and grease manufacturing|Heptanedioic acid: ACTIVE

Use Classification：

Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Dicarboxylic acids [FA0117]

Computed Properties

Molecular Weight:160.17
XLogP3:0.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:160.07355886
Monoisotopic Mass:160.07355886
Topological Polar Surface Area:74.6
Heavy Atom Count:11
Complexity:125
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Drug Function and Efficacy

Inhibit prostaglandin synthesis, antipyretic and analgesic

This ingredient has been used in drugs with the following functions (note: it does not mean that the ingredient itself has the following health functions)

Related Drugs

Shiqi External Infection Tea
Ingredients	Prunus mume, iron-wrapped gold, thin peach, stinky dung jasmine, and pandanus.
Indication	1. Long-term use of this product may cause liver damage in patients who use barbiturates (such as phenobarbital) or antispasmodics (such as belladonna); 2. This product can enhance the toxicity of chloramphenicol when used together with chloramphenicol; 3. Drug interactions may occur if used with other drugs at the same time. Please consult your physician or pharmacist for details.
Specifications	Each bag weighs 65 grams
Manufacturer	Zhongshan Hengsheng Pharmaceutical Co., Ltd.

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