Erythromycin Thiocyanate

HCID 83938CAS 7704-67-8

Substructure search Find similar structures

Basic information

Standard SMILES: CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O.N#CS
InChIKey: WVRRTEYLDPNZHR-YZPBMOCRSA-N
Molecular formula: C38H68N2O13S
Average molar mass: 793 g/mol
Monoisotopic mass: 792.44421124

Names & identifiers

Preferred name: Erythromycin Thiocyanate
IUPAC: (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione;thiocyanic acid
English name: Erythromycin thiocyanate
Molecular formula: C38H68N2O13S
Molecular weight: 793.02

Names & synonyms

Erythromycin thiocyanate7704-67-8Erythromycin, thiocyanate (salt)ERYTROVETY7A95YRI88BACTENIX V 300DTXSID50858755Gallimycin-100PRefChem:55130DTXCID70809486231-723-1Erythromycin (thiocyanate)

Show more names

ERYTHROMYCIN THIOCYNATEERTHROMYCIN THIOCYANATEthiocyaniERYTHROMYCIN THIOINATEErythromycin thiocyateErythromycin ThiocyanatErythroMicyn thiocyanateErythroMycin Thiocyanate CGMPERYTHROMYCIN THIOCYANATE CP2000

MFCD00072026(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione;thiocyanic acidUNII-Y7A95YRI88C38H68N2O13SBactenix V 300; Erythrocin Thiocyanate; Erytrovet; Gallimycin 10; Gallimycin 50 Pro-Gallimycin 10;EINECS 231-723-1EC 231-723-1orb1709736

Database identifiers

CAS: 7704-67-8
PubChem CID: 83938
DTXSID: DTXSID50858755
UNII: Y7A95YRI88
EC Number: 231-723-1

Properties

Computed structural properties

Topological polar surface area: 219 Å²
Hydrogen bond donors: 6
Hydrogen bond acceptors: 16
Rotatable bonds: 7
Heavy atoms: 54
Formal charge: 0
Complexity: 1,210

Experimental & physicochemical properties

Animal DrugsActive Ingredients (Erythromycin Thiocyanate) -> FDA Greenbook

Physicochemical properties

Melting point: 166 · 166-167 °C
storage temp.: -20 °C, · Store at -20°C, away from moisture
solubility: 100 mg/mL · DMSO : 100 mg/mL (126.10 mM; Need ultrasonic)
form: Crystalline
color: White to off-white
Stability: Hygroscopic
InChIKey: WVRRTEYLDPNZHR-JKARSCBVNA-N
CAS DataBase Reference: 7704 · 7704-67-8
FDA UNII: 7 A95YRI88 · Y7A95YRI88
Symbol(GHS): 8 · GHS08,GHS09
Signal word: Danger
Hazard statements: 334 · H334-H411-H317
Precautionary statements: 261 · P261-P285-P304+P341-P342+P311-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 1.9% (1 of 52) of reports.

Warning

H319 (94.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 52 reports by companies from 3 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 2 items

Status: Active Update: 16-05-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/11081

Erythromycin thiocyanate: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Other Safety InformationIMAP assessments - Erythromycin, thiocyanate (salt): Environment tier I assessment

Hazard Classes and CategoriesEye Irrit. 2 (94.2%)

Safety data

Signal word: Danger
Symbol(GHS): GHS08,GHS09
Hazard statements: H334-H411-H317
REACH Registrations: Active
Precautionary statements: P261-P285-P304+P341-P342+P311-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501