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Home> Encyclopedia > Hot Product Listed 2   > 2-Naphthacenecarboxamide,4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy...
62-56-6 structure

2-Naphthacenecarboxamide,4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-N-(1-pyrrolidinylmethyl)-,(4S,4aS,5aS,6S,12aS)-

Iupac Name:thiourea
CAS No.:62-56-6
Molecular Weight:76.117
Molecular Formula:C20H21CLN2O (isomer)
Names and Identifiers
Synonyms

(2e,4s,4as,5as,6s,12as)-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-2-[hydroxy-(pyrrolidin-1-ylmethylamino)methylidene]-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione (2z,4s,4as,5as,6s,12as)-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-2-[hydroxy-(pyrrolidin-1-ylmethylamino)methylidene]-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione (4s,4as,5as,6s,12as)-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-n-(pyrrolidin-1-ylmethyl)-4,4a,5,5a-tetrahydrotetracene-2-carboxamide [(4s,6s,12as,4as,5as)-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1, 11-dioxo(4,5,6,12a,4a,5a-hexahydronaphthacen-2-yl)]-n-(pyrrolidinylmethyl)carb oxamide 20685-78-3 (mononitrate) 2-naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-n-(1-pyrrolidinylmethyl)-, (4s-(4alpha,4aalpha,5aalpha,6beta,12aalpha))- 2-Naphthacenecarboxamide,4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-N-(1-pyrrolidinylmethyl)-(6CI,8CI) 2-Naphthacenecarboxamide,4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-N-(1-pyrrolidinylmethyl)-,[4S-(4a,4aa,5aa,6b,12aa)]- 4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-N-(1-pyrrolidinylmethyl)-2-naphthacenecarboxamide aat 4 AB01563105_01 AB01563105_02 Abricycline AC1NQZM8 AC1O711S AKOS024284365 Bristacin c-23090 c27h33n3o8 cc-34284 CCG-213512 CHEBI:63334 CTK8G2985 D02282 DB01301 einecs 212-031-9 FT-0603513 GH9IW85221 HMEYVGGHISAPJR-IAHYZSEUSA-N HMS2094O15 kinteto mfcd00056562 N-(1-Pyrrolidinylmethyl)tetracycline n-(1-pyrrolidinylmethyl)-tetracycline n-(pyrrolidinomethyl)tetracycline nsc759177 pirrolidinometil-tetraciclina prm-tc pyrrolidino-methyl-tetracycline Pyrrolidinylmethyltetracycline reverin rolitetraciclina rolitetracycline rolitetracycline (jan/usan/inn) rolitetracycline [usan:usp:inn:ban:jan] rolitetracycline, analytical standard rolitetracyclinum SCHEMBL155640 solvocillin sq 15 sq 15659 sr-05000001744 SR-05000001744-1 ST075203 Superciclin Synotodecin synterin synterin (tn) Syntetrin tetracycline, n-(pyrrolidinylmethyl)- tetracycline, pyrrolidinomethyl- Tetraverin Transcycline Velacycline X5947 ZINC14880004

Inchi
InChI=1S/CH4N2S/c2-1(3)4/h(H4,2,3,4)
InChkey
UMGDCJDMYOKAJW-UHFFFAOYSA-N
Canonical Smiles
C(=S)(N)N
Properties
Density
1.561
Melting Point
171-175℃
Boiling Point
639.5°C at 760 mmHg
Refractive Index
1.637 (30 C)
Flash Point
161.8°C
HS Code
29309070
Safety and Handling
Risk Statements
R22;R40;R51/53;R63
Safety Statements
S36/37;S61
HazardClass
6.1
Safety

Poison by intravenous route. Experimental teratogenic effects. Other experimental reproductive effects. When heated to decomposition it emits toxic fumes of NOx.
Safety Information of Rolitetracycline (CAS NO.751-97-3):
Hazard Codes: XnHarmful
Risk Statements: 22-36/37/38 
22:  Harmful if swallowed
36:  Irritating to the eyes 
37:  Irritating to the respiratory system 
38:  Irritating to the skin 
Safety Statements: 26-36
26:  In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 
36:  Wear suitable protective clothing

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 intravenous 93mg/kg (93mg/kg)   Drugs in Japan Vol. 6, Pg. 914, 1982.
mouse LD50 intraperitoneal 225mg/kg (225mg/kg)   United States Patent Document. Vol. #3846486,
mouse LD50 intravenous 75mg/kg (75mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 9, Pg. 63, 1959.
mouse LD50 oral 1320mg/kg (1320mg/kg)   Journal of Pharmacy and Pharmacology. Vol. 16, Pg. 33, 1964.
rabbit LD50 intravenous 47mg/kg (47mg/kg)   Drugs in Japan Vol. 6, Pg. 914, 1982.

PackingGroup
III
Transport
UN 2877/2811
Specification

 Rolitetracycline ,its CAS NO. is 751-97-3,the synonyms is 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-N-(1-pyrrolidinylmethyl)-, (4S-(4alpha,4aalpha,5aalpha,6beta,12aalpha))- ; 4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-N-(1-pyrrolidinylmethyl)-2-naphthacenecarboxamide ; Bristacin ; EINECS 212-031-9 ; N-(1-Pyrrolidinylmethyl)-tetracycline ; N-(Pyrrolidinomethyl)tetracycline ; Pirrolidinometil-tetraciclina ; Prm-TC ; Pyrrolidino-methyl-tetracycline ; Reverin ; Rolitetraciclina ; Rolitetracyclinum ; SQ 15,659 ; Superciclin ; Synotodecin ; Syntetrex ; Syntetrin ; Tetracycline, pyrrolidinomethyl- ; Transcycline ; UNII-GH9IW85221 ; Velacicline ; Velacycline ; n-Pyrrolidino-methyl-tetracycline .

MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Carcinogenicity, Category 2

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 2

Reproductive toxicity, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H351 Suspected of causing cancer

H411 Toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P273 Avoid release to the environment.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

P308+P313 IF exposed or concerned: Get medical advice/ attention.

P391 Collect spillage.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:76.117g/mol
  • Molecular Formula:C20H21CLN2O
  • Compound Is Canonicalized:True
  • Exact Mass:76.01
  • Monoisotopic Mass:76.01
  • Complexity:29
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:84.1A^2
  • Heavy Atom Count:4
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcYADAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAABAQQAAAAAAAAAAABAABAAAAE AAAAAAAAAAAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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