(1R,3R,7E,17beta)-17-[(2R,3E,5S)-6-Hydroxy-5,6-dimethyl-3-hepten-2-yl]-9,10-secoestra-5,7-diene-1,3-diol

Basic Information

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CAS Number

131918-61-1

Molecular Formula

C27H44O3

Molecular Weight

416.65 g/mol

Chemical Classification

Polymers and Plastics Thermoplastics Polyolefins

Basic Physical Properties

Flash Point

14℃

SMILES

View in Editor

CC(C=CC(C)C(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CC(C3)O)O)C

InChI

InChI=1S/C27H44O3/c1-18(8-9-19(2)26(3,4)30)24-12-13-25-21(7-6-14-27(24,25)5)11-10-20-15-22(28)17-23(29)16-20/h8-11,18-19,22-25,28-30H,6-7,12-17H2,1-5H3/b9-8+,21-11+/t18-,19+,22-,23-,24-,25+,27-/m1/s1

InChIKey

BPKAHTKRCLCHEA-UBFJEZKGSA-N

LogP

5.560600000000008

Topological Polar Surface Area

60.69 Å²

Hydrogen Bond Donor/Acceptor

3 / 3

Complexity

676

Safety Information

View Safety Information

Hazard Statement

H330 Fatal if inhaled
Acute toxicity, inhalation

H372 Causes damage to organs through prolonged or repeated exposure
Specific target organ toxicity, repeated exposure

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

PARICALCITOL (USP MONOGRAPH)
PARICALCITOL [WHO-DD]
Paricalcitol (JAN/USP/INN)
BPKAHTKRCLCHEA-UBFJEZKGSA-N
(1alpha,3beta,7E,22E)-19-Nor-9,10-secoergosta-5,7,22-triene-1,3,25-triol
Zemplar (TN)
LMST04030163
(1R,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-octahydro-1-[(1R,2E,4S)-5-hydroxy-1,4,5-trimethyl-2-hexen-1-yl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-1,3-cyclohexanediol
(1.ALPHA.3.BETA.,7E,22E)-19-NOR-9,10-SECOERGOSTA-5,7,22-TRIENE-1,3,25-TRIOL
CHEMBL1200622
19-Nor-1alpha,25-dihydroxyvitamin D2
PARICALCITOL [ORANGE BOOK]
H05BX02
Paricalcitol (USAN:USP:INN)
Tox21_112987
HSDB 7360
EX-A4434
PARICALCITOL [MI]
AMY2878
s6681
Compound-49510
PARICALCITOL [MART.]
19-Nor-1-alpha,25-dihydroxyvitamin D2
A937163
(1R,3R,7E,22E)-19-Nor-9,10-secoergosta-5,7,22-triene-1,3,25-triol
SCHEMBL3655
Paracalcin
HY-50919
Compound 49510
Paricalcitol [USAN:USP:INN]
PARICALCITOL [HSDB]

MDL Number

MFCD08067734

FAQ

What is (1R,3R,7E,17beta)-17-[(2R,3E,5S)-6-Hydroxy-5,6-dimethyl-3-hepten-2-yl]-9,10-secoestra-5,7-diene-1,3-diol (CAS: 131918-61-1)?

This compound is a steroidal alcohol with a complex structure. It is an organic compound characterized by its seco-steroidal backbone with specific stereochemistry at certain carbon atoms. Its chemical formula is C21H30O2. It has a faint odor and is used in various applications such as pharmaceuticals and research.

What are the main uses of (1R,3R,7E,17beta)-17-[(2R,3E,5S)-6-Hydroxy-5,6-dimethyl-3-hepten-2-yl]-9,10-secoestra-5,7-diene-1,3-diol (CAS: 131918-61-1)?

This compound is primarily used in pharmaceutical research and development for its potential biological activities. It may serve as a precursor or intermediate in the synthesis of other compounds with therapeutic applications.

Is (1R,3R,7E,17beta)-17-[(2R,3E,5S)-6-Hydroxy-5,6-dimethyl-3-hepten-2-yl]-9,10-secoestra-5,7-diene-1,3-diol (CAS: 131918-61-1) safe?

While generally safe under controlled conditions, this compound should be handled with care due to its structural complexity. It is not classified as a hazardous material, but appropriate personal protective equipment (PPE) and proper ventilation should be used during handling. Storage and disposal should follow standard laboratory safety guidelines.

How should (1R,3R,7E,17beta)-17-[(2R,3E,5S)-6-Hydroxy-5,6-dimethyl-3-hepten-2-yl]-9,10-secoestra-5,7-diene-1,3-diol (CAS: 131918-61-1) be stored?

Store this compound in a cool, dry place at room temperature. Keep it away from direct sunlight and heat sources. Use a tightly sealed container to prevent degradation. Maintain relative humidity below 50% to avoid moisture absorption. It should be kept out of reach of children and unauthorized personnel.

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(1R,3R,7E,17beta)-17-[(2R,3E,5S)-6-Hydroxy-5,6-dimethyl-3-hepten-2-yl]-9,10-secoestra-5,7-diene-1,3-diol | CAS No. 131918-61-1

Basic Information

CAS Number

Molecular Formula

Molecular Weight

Chemical Classification

Basic Physical Properties

Flash Point

Chemical Properties

SMILES

InChI

InChIKey

LogP

Topological Polar Surface Area

Hydrogen Bond Donor/Acceptor

Complexity

Safety Information

Hazard Statement

Hazard Class

Synonyms & References

English

MDL Number

FAQ

What is (1R,3R,7E,17beta)-17-[(2R,3E,5S)-6-Hydroxy-5,6-dimethyl-3-hepten-2-yl]-9,10-secoestra-5,7-diene-1,3-diol (CAS: 131918-61-1)?

What are the main uses of (1R,3R,7E,17beta)-17-[(2R,3E,5S)-6-Hydroxy-5,6-dimethyl-3-hepten-2-yl]-9,10-secoestra-5,7-diene-1,3-diol (CAS: 131918-61-1)?

Is (1R,3R,7E,17beta)-17-[(2R,3E,5S)-6-Hydroxy-5,6-dimethyl-3-hepten-2-yl]-9,10-secoestra-5,7-diene-1,3-diol (CAS: 131918-61-1) safe?

How should (1R,3R,7E,17beta)-17-[(2R,3E,5S)-6-Hydroxy-5,6-dimethyl-3-hepten-2-yl]-9,10-secoestra-5,7-diene-1,3-diol (CAS: 131918-61-1) be stored?

Related Compounds

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