HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program:[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

Diphenhydramine Citrate

HCID 174697
NotesReactions
Basic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
88637-37-0
Standard SMILES
CN(C)CCOC(c1ccccc1)c1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIKey
SPCKHVPPRJWQRZ-UHFFFAOYSA-N
Molecular formula
C23H29NO8
Average molar mass
447.5 g/mol
Monoisotopic mass
447.18931688

Overview

See also: Diphenhydramine (has active moiety); Diphenhydramine Hydrochloride (related); Diphenhydramine Citrate; Ibuprofen (component of) ... View More ...

Names & identifiers

Preferred name
Diphenhydramine Citrate
IUPAC
2-benzhydryloxy-N,N-dimethylethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid
English name
Diphenhydramine citrate
Molecular formula
C23H29NO8
Molecular weight
447.48

Names & synonyms

Diphenhydramine citrate88637-37-0Diphenhydramine citrate [USP]4OD433S209Diphenhydramine citrate (USP)2-(Diphenylmethoxy)-N,N-dimethylethylamine citrate (1:1)DTXSID80237211(2-(Diphenylmethoxy)ethyl)dimethylammonium dihydrogen 2-hydroxypropane-1,2,3-tricarboxylateRefChem:588810DTXCID80159702289-432-02-(Benzhydryloxy)-N,N-dimethylethanamine 2-hydroxypropane-1,2,3-tricarboxylate
Show more names
Benzhydramine citrateDiphenhydramine Impurity 18Diphenhydramine Citrate (200 mg)Diphenhydramine citrate USP/EP/BPDiphenhydramine Citrate (1217909)Diphenhydramine Citrate (125 mg)2-benzhydryloxy-N,N-dimethylethanamine,2-hydroxypropane-1,2,3-tricarboxylic acid[2-(diphenylmethoxy)ethyl]dimethylammonium dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate
Diphenhydramine (citrate)2-benzhydryloxy-N,N-dimethylethanamine;2-hydroxypropane-1,2,3-tricarboxylic acidEthanamine, 2-(diphenylmethoxy)-N,N-dimethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)UNII-4OD433S209C23H29NO8Ethanamine, 2-(diphenylmethoxy)-N,N-dimethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1); Diphenhydramine citrateEINECS 289-432-0orb134887

Properties

Computed structural properties

Topological polar surface area
145 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
9
Rotatable bonds
11
Heavy atoms
32
Formal charge
0
Complexity
439

Experimental & physicochemical properties

Human Drugs · 2 items

FDA approved drugs -> Active ingredient

FDA approved drugs -> Active ingredient

Physicochemical properties

Melting point
148 · 148-150°C
storage temp.
Room Temperature
solubility
DMSO, Methanol
form
Solid
color
White
Major Application
pharmaceutical
InChIKey
SPCKHVPPRJWQRZ-UHFFFAOYSA-N
SMILES
N(CCOC(c2ccccc2)c1ccccc1)(C)C.OC(CC(=O)O)(CC(=O)O)C(=O)O
FDA 21 CFR
338.1 · 338.10; 341.12; 341.14
FDA UNII
4 OD433S209 · 4OD433S209
UNSPSC Code
41116107 · 41116107
NACRES
24 · NA.24
Symbol(GHS)
7 · GHS07

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P233, P260, P261, P264, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P317, P321, P330, P333+P317, P342+P316, P362+P364, P403, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 27 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

wgk
3
hs_code
2922190900
Signal word
Warning
Symbol(GHS)
GHS07
Storage Class
11 - Combustible Solids
Hazard statements
H302-H319
Hazard Classifications
Acute Tox. 4 OralEye Irrit. 2
Precautionary statements
P264-P270-P280-P301+P312-P305+P351+P338-P337+P313

Chemistry & industry

Pharmacology

MeSH Pharmacological Classification · 6 items

Drugs that block nerve conduction when applied locally to nerve tissue in appropriate concentrations. They act on any part of the nervous system and on every type of nerve fiber. In contact with a nerve trunk, these anesthetics can cause both sensory and motor paralysis in the innervated area. Their action is completely reversible. (From Gilman AG, et. al., Goodman and Gilman's The Pharmacological Basis of Therapeutics, 8th ed) Nearly all local anesthetics act by reducing the tendency of voltage-dependent sodium channels to activate.

Drugs used to prevent NAUSEA or VOMITING.

Drugs used to induce SLEEP, prevent SLEEPLESSNESS, or treat SLEEP INITIATION AND MAINTENANCE DISORDERS.

Drugs that selectively bind to but do not activate histamine H1 receptors, thereby blocking the actions of endogenous histamine. Included here are the classical antihistaminics that antagonize or prevent the action of histamine mainly in immediate hypersensitivity. They act in the bronchi, capillaries, and some other smooth muscles, and are used to prevent or allay motion sickness, seasonal rhinitis, and allergic dermatitis and to induce somnolence. The effects of blocking central nervous system H1 receptors are not as well understood.

Drugs used to induce drowsiness or sleep or to reduce psychological excitement or anxiety.

Agents that are used to treat allergic reactions. Most of these drugs act by preventing the release of inflammatory mediators or inhibiting the actions of released mediators on their target cells. (From AMA Drug Evaluations Annual, 1994, p475)

Applications

UsesAntihistaminic.

UsesDiphenhydramine is a H1-histamine receptor antagonist. Diphenhydramine is categorized as an antihistaminic; sedative, hypnotic.

Suppliers55 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]

Related reactions

0 records
New reaction record

No reaction records under the current filter.

Compound notes

Loading…

On this pageBasic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes

Database identifiers

CAS
88637-37-0
PubChem CID
174697
DTXSID
DTXSID80237211
ChEMBL
CHEMBL1201089
UNII
4OD433S209
EC Number
289-432-0
Signal word
Warning
Hazard statements
302 · H302-H319
Precautionary statements
264 · P264-P270-P280-P301+P312-P305+P351+P338-P337+P313
WGK Germany
3 · 3
HS Code
2922190900 · 2922190900
Storage Class
11 · 11 - Combustible Solids
Hazard Classifications
4 OralEye · Acute Tox. 4 OralEye Irrit. 2
湖北海克斯生化有限公司17362916295; 17362916295 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
河北展药生物科技有限公司15369953316 +8615369953316 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
湖北辰心化工有限公司18696113233 · [email protected]
Syntechem Co.,Ltd[email protected]
南京圣亿来化工有限公司19951936396 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
常州市华阳科技有限公司+8615250961469 · [email protected]
合肥天健化工有限公司551-65418679 15856988503;15837135945 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
泰州市众致生物科技有限公司[email protected] 15066129350 · [email protected]
湖北威德利化学试剂有限公司186-02735115 18602735115 · [email protected]
上海丽康新材料有限公司+86-16631818819 +86-17736933208 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
深圳菲斯生物科技有限公司0755-83725350 13380397412 · [email protected]
济南鲁欣化工科技有限公司0531-0531-82929600 18615510361 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
陕西缔都医药化工有限公司+86-29-87569262 +86-15003564040 · [email protected]
Chongqing jooe co., ltd+86-15223382610 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
池州凯隆进出口贸易有限公司[email protected]
湖北源梦生物科技有限公司027-68897569 18120462897 · [email protected]
湖北辰心化工有限公司17362916295 · [email protected]
艾吉析科技(上海)有限公司17717235263 17717235263 · [email protected]
湖北源梦生物科技有限公司027-68897569 18120462897 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
广州卡芬生物科技有限公司18029243487 2355327168 · [email protected]
湖北扬信医药科技有限公司15374522761 · [email protected]
威尔曼医药集团有限公司15807197853 18971451745 · [email protected]
华阴市赛普生物科技有限公司13892502238 · [email protected]
爱必信(上海)生物科技有限公司13761418683 · [email protected]
珠海嘉亿生物科技有限公司18578209868 2355327026 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
湖北康鑫源顺医药化工有限公司027-51831887 15337167856 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
湖北星城生物科技有限公司19171210221 · [email protected]
海蔚化学86-21-51086038 · [email protected]
爆牛贸易重庆有限公司+86-023-6139-8061 +86-86-13650506873 · [email protected]
常州翔龙医药科技有限公司18661161657 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Nanjing Doge Biomedical Technology Co., Ltd+86-25-58227606 +86-15305155328 · [email protected]
武汉维斯尔曼生物工程有限公司13419526507 13419526507 · [email protected]
重庆卡兰医药有限公司[email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]