21-Hydroxyprogesterone 21-hemisuccinate

CAS

10215-74-4

Catalog Number

ACM10215744

Category

Steroidal Compounds

Molecular Weight

430.53

Molecular Formula

C₂₅H₃₄O₆

MSDS COA Spec Sheet

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Specification

Synonyms

Deoxycorticosterone 21-hemisuccinate; 21-Hydroxypregn-4-ene-3,20-dione 21-(hydrogen succinate); 4-[2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoic acid; succinic acid mono-(3,20-dioxo-pregn-4-en-21-yl ester); 21-Hydroxyprogesterone 21-hemisuccinate; Bernsteinsaeure-mono-(3,20-dioxo-pregn-4-en-21-ylester); 4-Pregnen-21-ol-3,20-dione 21-hemisuccinate; 11-Deoxycorticosterone hydrogen succinate; Cortexone 21-hemisuccinate; 21-Hydroxy-4-pregnene-3,20-dione 21-hemisuccinate;

IUPAC Name

4-[2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoicacid

Canonical SMILES

CC12CCC3C(C1CCC2C(=O)COC(=O)CCC(=O)O)CCC4=CC(=O)CCC34C

InChI Key

CYWICJWKZPXJSA-PQWRYPMOSA-N

Boiling Point

613.2ºC at 760mmHg

Flash Point

205.7ºC

Density

1.22g/cm³

EC Number

233-528-7

Exact Mass

430.23600

WGK Germany

What is the molecular formula of 21-Hydroxyprogesterone 21-hemisuccinate?

The molecular formula is C25H34O6.

What is the molecular weight of 21-Hydroxyprogesterone 21-hemisuccinate?

The molecular weight is 430.5 g/mol.

What is the IUPAC name of 21-Hydroxyprogesterone 21-hemisuccinate?

The IUPAC name is 4-[2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoic acid.

What is the InChI of 21-Hydroxyprogesterone 21-hemisuccinate?

The InChI is InChI=1S/C25H34O6/c1-24-11-9-16(26)13-15(24)3-4-17-18-5-6-20(25(18,2)12-10-19(17)24)21(27)14-31-23(30)8-7-22(28)29/h13,17-20H,3-12,14H2,1-2H3,(H,28,29)/t17-,18-,19-,20+,24-,25-/m0/s1.

What is the CAS number of 21-Hydroxyprogesterone 21-hemisuccinate?

The CAS number is 10215-74-4.

What is the XLogP3 value of 21-Hydroxyprogesterone 21-hemisuccinate?

The XLogP3 value is 2.5.

How many hydrogen bond donor counts does 21-Hydroxyprogesterone 21-hemisuccinate have?

It has 1 hydrogen bond donor count.

How many hydrogen bond acceptor counts does 21-Hydroxyprogesterone 21-hemisuccinate have?

It has 6 hydrogen bond acceptor counts.

How many rotatable bond counts does 21-Hydroxyprogesterone 21-hemisuccinate have?

It has 7 rotatable bond counts.

What is the topological polar surface area of 21-Hydroxyprogesterone 21-hemisuccinate?

The topological polar surface area is 97.7Å².