7-Chloromethyl drospirenone

CAS

932388-90-4

Catalog Number

ACM932388904

Category

Other Products

Molecular Weight

402.95

Molecular Formula

C₂₄H₃₁ClO₃

MSDS COA Spec Sheet

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Specification

Synonyms

7β-(Chloromethyl)-15β,16β-methylene-3-oxo-17α-pregn-4-ene-21,17-carbolactone; (7β,15α,16α,17α)-7-(Chloromethyl)-15,16-dihydro-17-hydroxy-3-oxo-3'H-cyclopropa[15,16]pregna-4,15-diene-21-carboxylic Acid γ-Lactone;

IUPAC Name

932388-90-4

Canonical SMILES

CC12CCC(=O)C=C1CC(C3C2CCC4(C3C5CC5C46CCC(=O)O6)C)CCl

InChI Key

YGBFZJNESAZJNB-MQSRJSRPSA-N

Exact Mass

402.19600

What is the molecular formula of 7-Chloromethyl drospirenone?

The molecular formula of 7-Chloromethyl drospirenone is C24H31ClO3.

What is the molecular weight of 7-Chloromethyl drospirenone?

The molecular weight of 7-Chloromethyl drospirenone is 403.0 g/mol.

What is the IUPAC name of 7-Chloromethyl drospirenone?

The IUPAC name of 7-Chloromethyl drospirenone is (1'R,2'S,3'S,5S,5'S,7'S,10'S,11'R,18'S)-18'-(chloromethyl)-7',11'-dimethylspiro[oxolane-5,6'-pentacyclo[8.8.0.0 2,7 .0 3,5 .0 11,16 ]octadec-15-ene]-2,14'-dione.

What is the InChI of 7-Chloromethyl drospirenone?

The InChI of 7-Chloromethyl drospirenone is InChI=1S/C24H31ClO3/c1-22-6-3-15(26)10-14(22)9-13(12-25)20-17(22)4-7-23(2)21(20)16-11-18(16)24(23)8-5-19(27)28-24/h10,13,16-18,20-21H,3-9,11-12H2,1-2H3/t13-,16-,17+,18+,20-,21+,22+,23+,24+/m1/s1.

What is the InChIKey of 7-Chloromethyl drospirenone?

The InChIKey of 7-Chloromethyl drospirenone is YGBFZJNESAZJNB-MQSRJSRPSA-N.

What is the canonical SMILES of 7-Chloromethyl drospirenone?

The canonical SMILES of 7-Chloromethyl drospirenone is CC12CCC(=O)C=C1CC(C3C2CCC4(C3C5CC5C46CCC(=O)O6)C)CCl.

What is the isomeric SMILES of 7-Chloromethyl drospirenone?

The isomeric SMILES of 7-Chloromethyl drospirenone is C[C@]12CCC(=O)C=C1C[C@@H]([C@@H]3[C@@H]2CC[C@]4([C@H]3[C@@H]5C[C@@H]5[C@@]46CCC(=O)O6)C)CCl.

What is the CAS number of 7-Chloromethyl drospirenone?

The CAS number of 7-Chloromethyl drospirenone is 932388-90-4.

What is the UNII of 7-Chloromethyl drospirenone?

The UNII of 7-Chloromethyl drospirenone is X282GQ16BX.

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