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Home> Hot Product Listed N   > NCGC00100460-01
19685-09-7 structure

NCGC00100460-01

CAS No.:19685-09-7
Molecular Weight:364.35100
Molecular Formula:C26H24N4O3 (isomer)
Names and Identifiers
Synonyms

1-(butan-2-yl)-n-(furan-2-ylmethyl)-2-imino-8-methyl-5-oxo-1,5-dihydro-2h-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide 1-sec-butyl-n-(2-furylmethyl)-2-imino-8-methyl-5-oxo-1,5-dihydro-2h-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide 7-(butan-2-yl)-n-[(furan-2-yl)methyl]-6-imino-13-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide AC1MK6JM AKOS001661182 AKOS016306920 CHEMBL1318561 HMS1801K17 MCULE-5253938016 MOLPORT-000-484-813 n-(furan-2-ylmethyl)-6-imino-13-methyl-2-oxo-7-(sec-butyl)-1,7,9-triazatricyclo[8.4.0.0(3),?]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide sr-01000147560 SR-01000147560-1 ST50126151 STK907827 Z1213666128

Inchi
InChI=1S/C20H16N2O5/c1-2-20(26)14-7-16-17-11(5-10-6-12(23)3-4-15(10)21-17)8-22(16)18(24)13(14)9-27-19(20)25/h3-7,23,26H,2,8-9H2,1H3
InChkey
HAWSQZCWOQZXHI-UHFFFAOYSA-N
Canonical Smiles
CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=CC(=CC5=C4)O)O
Properties
Melting Point
230-237 °C
Vapour
1.67E-28mmHg at 25°C
Refractive Index
1.776
HS Code
2934999090
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S26;S36
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 19685-09-7 EC: NCGC00100460-01 ·ECHA C&L Inventory for CAS: CAS: 19685-09-7 EC: NCGC00100460-01
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Germ cell mutagenicity, Category 1B

Carcinogenicity, Category 1B

Reproductive toxicity, Category 2

Specific target organ toxicity \u2013 repeated exposure, Category 1

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H340 May cause genetic defects

H350 May cause cancer

H361 Suspected of damaging fertility or the unborn child

H372 Causes damage to organs through prolonged or repeated exposure

H413 May cause long lasting harmful effects to aquatic life

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.

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

P264 Wash ... thoroughly after handling.

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

P273 Avoid release to the environment.

Response

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

P314 Get medical advice/attention if you feel unwell.

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:364.35100g/mol
  • Molecular Formula:C26H24N4O3
  • Compound Is Canonicalized:True
  • Exact Mass:364.106
  • Monoisotopic Mass:364.106
  • Complexity:774
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:100A^2
  • Heavy Atom Count:27
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceB7OAAAAAAAAAAAAAAAAAAAAWAAAAA8QIEAAAAAAFix8AAAHgAACAAADEzhngYyzvMIFgCo AyXyXAKCgCAhIiAImCF+bNgJZvbC8ZOWcAhm5hHL+QewwPAOAEABAAACAAAAgAIAAAQAAAAAAAAA AA==
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  • Fax:86-571-86821328
  • Tel:86-371-86658258
  • Fax:86-371-86658258
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:86-571-87396430
  • Fax:86-571-87396431
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