CAS 197721-70-3

Chemistry, 1 End Use API, 8 Related Intermediates

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Also known as: 197721-70-3, Ac1t1mj4xn, 5beta-hydroxy drospirenone, (1r,2r,4r,5r,10r,11s,14s,15s,16s,18s,19s)-5-hydroxy-10,14-dimethylspiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadecane-15,5'-oxolane]-2',7-dione, Unii-ac1t1mj4xn, 5

Molecular Formula

C₂₄H₃₂O₄

Molecular Weight

384.5 g/mol

InChI Key

RQANBDIXNMIXPA-DHHRPGCOSA-N

FDA UNII

AC1T1MJ4XN

1 2D Structure

CAS 197721-70-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(1R,2R,4R,5R,10R,11S,14S,15S,16S,18S,19S)-5-hydroxy-10,14-dimethylspiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadecane-15,5'-oxolane]-2',7-dione

2.1.2 InChI

InChI=1S/C24H32O4/c1-21-6-3-12(25)11-23(21,27)16-9-13(16)19-15(21)4-7-22(2)20(19)14-10-17(14)24(22)8-5-18(26)28-24/h13-17,19-20,27H,3-11H2,1-2H3/t13-,14+,15-,16+,17-,19+,20-,21+,22-,23+,24-/m0/s1

2.1.3 InChI Key

RQANBDIXNMIXPA-DHHRPGCOSA-N

2.1.4 Canonical SMILES

CC12CCC(=O)CC1(C3CC3C4C2CCC5(C4C6CC6C57CCC(=O)O7)C)O

2.1.5 Isomeric SMILES

C[C@]12CCC(=O)C[C@]1([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)O

2.2 Other Identifiers

2.2.1 UNII

AC1T1MJ4XN

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 197721-70-3

2. Ac1t1mj4xn

3. 5beta-hydroxy Drospirenone

4. (1r,2r,4r,5r,10r,11s,14s,15s,16s,18s,19s)-5-hydroxy-10,14-dimethylspiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadecane-15,5'-oxolane]-2',7-dione

5. Unii-ac1t1mj4xn

6. 5

7. A-hydroxy Drospirenone

8. Ec 606-376-8

9. Dtxsid50173470

10. Zinc135617773

11. 5-hydroxy-6 Beta,7 Beta;15 Beta,16 Beta-dimethylene-3-oxo-5 Beta,17 Alpha-pregnane-21,17-carbolactone

12. Q27273859

13. Drospirenone Impurity, 5-hydroxydrospirenone- [usp Impurity]

14. 5.beta.,17.beta.-dihydroxy-6.beta.,7.beta.:15.beta.,16.beta.-dimethylene-17.alpha.-pregnan-21-carboxylic Acid, -gamma.lactone

15. Spiro(17h-dicyclopropa(6,7:15,16)cyclopenta(a)phenanthrene-17,2'(5'h)-furan)-3,5'(2h)-dione, Octadecahydro-5-hydroxy-10,13-dimethyl-, (2's,5r,6r,7r,8r,9s,10r,13s,14s,15s,16s)-

16. Spiro(17h-dicyclopropa(6,7:15,16)cyclopenta(a)phenanthrene-17,2'(5'h)-furan)-3,5'(2h)-dione, Octadecahydro-5-hydroxy-10,13-dimethyl-, (5r-(5.alpha.,6.beta.,7.beta.,8.alpha.,9.beta.,10.alpha.,13.alpha.,14.beta.,15.beta.,16.beta.,17.alpha.))-

2.4 Create Date

2007-02-10

3 Chemical and Physical Properties

Molecular Formula	C₂₄H₃₂O₄
Molecular Weight	384.5 g/mol
XLogP3	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	384.23005950 g/mol
Monoisotopic Mass	384.23005950 g/mol
Topological Polar Surface Area	63.6 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	821
Isotope Atom Count	0
Defined Atom Stereocenter Count	11
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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CAS Number

197721-70-3

Intermediate Name

6?,7?:15?,16?-DiMethylene-5?-hydrox...

About the Company

Dalian Richon Chem. Co., Ltd is a high-tech enterprise professionally involved in research and developmen...

Dalian Richon Chem. Co., Ltd is a high-tech enterprise professionally involved in research and development, manufacturing process and sales service of pharmaceutical intermediates and APIs. It has passed ISO9001:2000 international quality management system certificate. Its business scope includes development and manufacturing of APIs and pharmaceutical intermediates, contract development and manufacturing for domestic and international pharmaceutical companies, technical consultation, service and transfer.

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