Basic information
- CAS
71130-06-8- Standard SMILES
CN/C(=C/[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1.Cl- InChIKey
GGWBHVILAJZWKJ-CHHCPSLASA-N- Molecular formula
- C13H23ClN4O3S
- Average molar mass
- 350.87 g/mol
- Monoisotopic mass
- 350.1179395
Names & identifiers
- Preferred name
- (Z)-N-(2-(((5-((Dimethylamino)methyl)furan-2-yl)methyl)thio)ethyl)-N-methyl-2-nitroethene-1,1-diamine hydrochloride
- IUPAC
- (Z)-1-N'-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1-N-methyl-2-nitroethene-1,1-diamine;hydrochloride
- English name
- Ranitidine hydrochloride
- Molecular formula
- C13H23ClN4O3S
- Molecular weight
- 350.86
Names & synonyms
(Z)-N-(2-(((5-((Dimethylamino)methyl)furan-2-yl)methyl)thio)ethyl)-N-methyl-2-nitroethene-1,1-diamine hydrochloride358638-36-571130-06-8MLS000069385SMR000058545C13H23ClN4O3SSR-01000000016Opera_ID_624(Z)-1-N'-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1-N-methyl-2-nitroethene-1,1-diamine;hydron;chlorideSCHEMBL3329870956-04-6MLS001333197
Show more names
RANITIDINE HCLranitidine hydrochloridZANTACRanitidine HydrochLRANITIDINE (ranitidine)-N-(2-(((5-((Dimethylamino)RANITIDINE HYDROCHLORIDE BP93-N-methyl-2-nitroethene-1,1-diamine[(Dimethylamino)methyl]furfuryl]thio]ethyl]-N'-methyl-2-nitrovinylidenediamine monohydrochlorideN-[2-[5-[(DIMETHYLAMINO)METHYL]FURFURYLTHIO]ETHYL]-N'-METHYL-2-NITRO-1,1-ETHENEDIAMINE HYDROCHLORIDE
MLS001333198MLS002153383MLS002207038Ranitidine hydrochloride, solidorb1310220CHEMBL1330865HMS3412P10HMS3676P10
Properties
Computed structural properties
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 347
Experimental & physicochemical properties
Solubility52.4 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- solubility
- 2 O: · H2O: 1.8 mg/mL
- form
- solid
- color
- tan
- BCS Class
- 3 · 3
- CAS DataBase Reference
- 71130 · 71130-06-8(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07,GHS08
- Signal word
- Danger
- Hazard statements
- 319 · H319-H335-H317-H334-H315
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P261-P285-P304+P341-P342+P311-P501-P264-P280-P305+P351+P338-P337+P313P
- Safety Statements
- 22 · 22-24/25
- WGK Germany
- 2 · 2
- RTECS
- 6557000 · KM6557000
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
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P233, P260, P261, P264, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 54 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 2
- rtecs
- KM6557000
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS08
- safety_code
- 22-24/25
- Hazard statements
- H319-H335-H317-H334-H315
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P261-P285-P304+P341-P342+P311-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
UsesA histamine H2-receptor antagonist
Suppliers100 total
北京华美互利生物化工010-56205725 · [email protected]
湖北威德利化学试剂有限公司186-02735115 18062128043 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
湖北金梭生物科技有限公司00123456789 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
重庆康洲智通医药科技有限公司173-08362167 17308362167 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
Jai Radhe Sales+(91)-(79)-26431096/65255722 · [email protected]
南京正济医药研究有限公司0512-62750571 · [email protected]
陕西林奈生物化工有限公司15327269642 · [email protected]
LGM Pharma1-(800)-881-8210 · [email protected]
湖南瑞威尔生物科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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