Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed F   > F0535-0533
2058-46-0 structure

F0535-0533

Iupac Name:(4S,4aR,5S,5aR,6S,12aR)-4-(dimethylamino)-1,5,6,10,11,12a-hexahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;hydron;chloride
CAS No.:2058-46-0
Molecular Weight:496.897
Molecular Formula:C22H24N4O5S2 (isomer)
Names and Identifiers
Synonyms

(1-((3,5-dimethylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1h)-yl)(o-tolyl)methanone [1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1h-isoquinolin-2-yl]-(2-methylphenyl)methanone AC1N78LF AKOS024581029 MCULE-3433668011 MOLPORT-003-021-900 OPREA1_018618

Inchi
InChI=1S/C22H24N2O9.ClH/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29;/h4-6,12-14,17,25-26,28,30,32-33H,1-3H3,(H2,23,31);1H/t12-,13-,14+,17+,21-,22+;/m1./s1
InChkey
SVDOODSCHVSYEK-IFLJXUKPSA-N
Canonical Smiles
[H+].CC1(C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O)O.[Cl-]
Isomers Smiles
C[C@@]1([C@H]2[C@@H]([C@H]3[C@@H](C(=O)/C(=C(\N)/O)/C(=O)[C@]3(C(=O)C2=C
(C4=C1C=CC=C4O)O)O)N(C)C)O)O
Properties
Melting Point
180℃
Vapour
2.17E-30mmHg at 25°C
HS Code
29413000
Safety and Handling
Risk Statements
R36;R63
Safety Statements
S26;S36/37/39
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 2058-46-0 EC: F0535-0533 ·ECHA C&L Inventory for CAS: CAS: 2058-46-0 EC: F0535-0533
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Reproductive toxicity, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H361 Suspected of damaging fertility or the unborn child

Precautionary statement(s)
Prevention

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.

Response

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

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:496.897g/mol
  • Molecular Formula:C22H24N4O5S2
  • Compound Is Canonicalized:True
  • Exact Mass:496.125
  • Monoisotopic Mass:496.125
  • Complexity:1000
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:8
  • Hydrogen Bond Acceptor Count:11
  • Topological Polar Surface Area:202A^2
  • Heavy Atom Count:34
  • Defined Atom Stereocenter Count:6
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:3
  • CACTVS Substructure Key Fingerprint: AAADceB7PAAEAAAAAAAAAAAAAAAAAAAAAAAwYIEAAAAAAACBAAAAHgAQCAAADXzhmAYyBoNAAgCI AqFSEAKCAAAgIAAIiAHOCMgJNz6KkTKEcAAn4BEJmQf+/veugAABAAAYAADAAAYQADAAAAAAAAAA AA==
Recommended Suppliers
  • Tel:86-311-66561638
  • Fax:86-311-66561638
  • Tel:86-717-4128488
  • Fax:86-0717-4460150
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:0086-27-59207850
  • Fax:0086-27-59524646
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • Tel:86-27-13667132959
  • Fax:86-27-13667132919
  • Tel:86-25-83697070
  • Fax:86-25-83453275
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-188-74586545
  • Fax:86-27-83214668
Recommended Suppliers
  • Tel:86-311-66561638
  • Fax:86-311-66561638
  • Tel:86-717-4128488
  • Fax:86-0717-4460150
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:0086-27-59207850
  • Fax:0086-27-59524646
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • Tel:86-27-13667132959
  • Fax:86-27-13667132919
  • Tel:86-25-83697070
  • Fax:86-25-83453275
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-188-74586545
  • Fax:86-27-83214668
 
<