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Home> Encyclopedia > Hot Product Listed 5   > 5-Heptenoic acid,7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]-, (5Z)-
19351-18-9 structure

5-Heptenoic acid,7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]-, (5Z)-

Iupac Name:2,2-dimethyl-1,3-thiazolidine
CAS No.:19351-18-9
Molecular Weight:117.21
Molecular Formula:C13H9N3OS3 (isomer)
Names and Identifiers
Synonyms

(+)-(z)-7-((1r,2r,3r,5s)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl)-5-heptenoic acid (5z)-7-((1r,2r,3r,5s)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl)hept-5-enoic acid (5z)-7-[(1r, 2r, 3r, 5s)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]-5-heptenoic acid (5z)-7-[(1r,2r,3r,5s)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enoic acid (5z,9alpha,11alpha)-9,11-dihydroxy-15-oxo-20a,20b-dihomoprost-5-en-1-oic acid 13,14-dihydro-15-keto-20-ethyl pgf2alpha 13,14-dihydro-15-keto-20-ethyl prostaglandin f2alpha 13,14-dihydro-15-keto-20-ethyl prostaglandin f2alpha isopropyl ester 13,14-dihydro-15-keto-20-ethyl-pgf2 |a isopropyl ester 5-Heptenoicacid, 7-[3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]-, [1R-[1a(Z),2b,3a,5a]]- 6X4F561V3W 9,11-dihydroxy-15-oxo-20a,20b-dihomoprost-5z-en-1-oic acid 9.alpha.,11.alpha.-dihydroxy-13,14-dihydro-15-oxo-20a,20b-dihomoprost-5-en-1-oic acid 9ALPHA, 11ALPHA-DIHYDROXY-15-OXO-20A,20B-DIHOMOPROST-5-EN-1-OIC ACID AB1006350 CHEBI:39455 CHEMBL1201407 D08661 D09SRR HMS3648D22 LMFA03010204 RP08019 SCHEMBL194651 sr-01000946492 SR-01000946492-1 TVHAZVBUYQMHBC-SNHXEXRGSA-N Unii-6X4F561V3w unoprostone unoprostone (inn) unoprostone [inn] ZINC8214703

Inchi
InChI=1S/C5H11NS/c1-5(2)6-3-4-7-5/h6H,3-4H2,1-2H3
InChkey
SNPQRYOQWLOTFA-UHFFFAOYSA-N
Canonical Smiles
CC1(NCCS1)C
Properties
Density
1.186
Boiling Point
867.2°Cat760mmHg
Vapour
1.5mmHg at 25°C
Flash Point
°C
HS Code
2934999090
Safety and Handling
Risk Statements
10-36/37/38
Safety Statements
16-26-36/37/39
HazardClass
3
PackingGroup
III
Transport
1993
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Flammable liquids, Category 3

Acute toxicity - Oral, Category 4

Acute toxicity - Dermal, Category 4

Skin irritation, Category 2

Eye irritation, Category 2

Acute toxicity - Inhalation, Category 4

Specific target organ toxicity – single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H226 Flammable liquid and vapour

H302 Harmful if swallowed

H312 Harmful in contact with skin

H315 Causes skin irritation

H319 Causes serious eye irritation

H332 Harmful if inhaled

H335 May cause respiratory irritation

Precautionary statement(s)
Prevention

P210 Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.

P233 Keep container tightly closed.

P240 Ground and bond container and receiving equipment.

P241 Use explosion-proof [electrical/ventilating/lighting/...] equipment.

P242 Use non-sparking tools.

P243 Take action to prevent static discharges.

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

P264 Wash ... thoroughly after handling.

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

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P271 Use only outdoors or in a well-ventilated area.

Response

P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower].

P370+P378 In case of fire: Use ... to extinguish.

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

P330 Rinse mouth.

P302+P352 IF ON SKIN: Wash with plenty of water/...

P312 Call a POISON CENTER/doctor/…if you feel unwell.

P321 Specific treatment (see ... on this label).

P362+P364 Take off contaminated clothing and wash it before reuse.

P332+P313 If skin irritation occurs: Get medical advice/attention.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

Storage

P403+P235 Store in a well-ventilated place. Keep cool.

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

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:117.21g/mol
  • Molecular Formula:C13H9N3OS3
  • Compound Is Canonicalized:True
  • Exact Mass:117.061
  • Monoisotopic Mass:117.061
  • Complexity:70.5
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:37.3A^2
  • Heavy Atom Count:7
  • 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: AAADccBiAABAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAAAAAAAHAQQAAAACAjFQASCAALAAAgA AAAAAAAAAABAABAAAIAIAAAAAAAAAAAAAAAAEACgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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