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Home> Encyclopedia > Hot Product Listed S   > Spiro[17H-dicyclopropa[6,7:15,16]cyclopenta[a]phenanthrene-17,2'(5'H)-furan]-3,5'(2H)-dione,1,3',4',...
67392-87-4 structure

Spiro[17H-dicyclopropa[6,7:15,16]cyclopenta[a]phenanthrene-17,2'(5'H)-furan]-3,5'(2H)-dione,1,3',4',6,7,8,9,10,11,12,13,14,15,16,20,21-hexadecahydro-10,13-dimethyl-,(2'S,6R,7R,8R,9S,10R,13S,14S,15S,16S)-

CAS No.:67392-87-4
EINECS(EC#): 266-679-2
Molecular Weight:366.4932
Molecular Formula:C24H30O3 (isomer)
Names and Identifiers
Synonyms

1,2-Dihydrospirorenone 3-Oxo-6b,7b:15b,16b-dimethylene-17a-pregn-4-en-21,17-carbolactone 6b,7b 6b,7b:15b,16b-Dimethylene-3-oxo-17a-pregn-4-ene-21,17-carbolactone BRN 4765500 CCRIS 6523 Dihydrospirorenone Drospirenona Drospirenone Spiro[17H-dicyclopropa[6,7:15,16]cyclopenta[a]phenanthrene-17,2'(5'H)-furan]-3,5'(2H)-dione,1,3',4',6,7,8,9,10,11,12,13,14,15,16,20,21-hexadecahydro-10,13-dimethyl-,[6R-(6a,7a,8b,9a,10b,13b,14a,15a,16a,17b)]- YAZ ZK 30595

Inchi
InChI=1S/C24H30O3/c1-22-6-3-12(25)9-17(22)13-10-14(13)20-16(22)4-7-23(2)21(20)15-11-18(15)24(23)8-5-19(26)27-24/h9,13-16,18,20-21H,3-8,10-11H2,1-2H3/t13-,14+,15-,16+,18+,20-,21+,22-,23+,24+/m1/s1
InChkey
METQSPRSQINEEU-HXCATZOESA-N
Canonical Smiles
CC12CCC(=O)C=C1C3CC3C4C2CCC5(C4C6CC6C57CCC(=O)O7)C
Isomers Smiles
C[C@]12CCC(=O)C=C1[C@@H]3C[C@@H]3[C@@H]4[C@@H]2CC[C@]5([C@H]4[C@@H]6C[C@
@H]6[C@@]57CCC(=O)O7)C
Properties
Appearance
white to off-white crystalline powder
Density
1.26
Melting Point
196-200℃
Boiling Point
552.2 oC at 760 mmHg
Refractive Index
1.61
Flash Point
241.6 oC
Alpha
-180 o (C=0.5, CHLOROFORM)
HS Code
2937290090
Safety and Handling
Hazard Note
H360
Toxicity

CHEMICAL IDENTIFICATION

RTECS NUMBER :
WH1299000
CAS REGISTRY NUMBER :
67392-87-4
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C24-H30-O3
MOLECULAR WEIGHT :
366.54

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
1200 ug/kg
SEX/DURATION :
female 1 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Fertility - other measures of fertility
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 35,459,1985
Specification

? Drospirenone (CAS NO.67392-87-4), its Synonyms are 1,2-Dihydrospirorenone ; 6R,7R,8R,9S,10R,13S,14S,15S,16S,17S)-1,3',4',6,6a,7,8,9,10,11,12,13,14,15,15a,16-Hexadecahydro-10,13-dimethylspiro-(17H-dicyclopropa(6,7:15,16)cyclopenta(a)phenanthrene-17,2'(5'H)-furan)-3,5'(2H)-dione ; 17-Hydroxy-6beta,7beta:15beta,16beta-dimethylene-3-oxo-17alpha-pregn-4-ene-21-carboxylic acid, gamma-lactone ; 6-beta,7-beta;15-beta,16-beta-Dimethylene-3-oxo-17-alpha-pregn-4-ene-21,17-carbolactone ; Drospirenona . It is off-white crystalline powder.

MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Reproductive toxicity, Category 1B

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H360 May damage 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:366.4932g/mol
  • Molecular Formula:C24H30O3
  • Exact Mass:366.219495
  • Monoisotopic Mass:366.219495
  • Complexity:828
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:43.4
  • Heavy Atom Count:27
  • Defined Atom Stereocenter Count:10
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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