101692-02-8

Chemistry, 1 End Use API, 3 Related Intermediates

Manufacturers/Suppliers

1 Suppliers

1 Suppliers

Also known as: 101692-02-8, (1r,2r,3as,9as)-1-((s)-3-hydroxyoctyl)-2,3,3a,4,9,9a-hexahydro-1h-cyclopenta[b]naphthalene-2,5-diol, (1r,2r,3as,9as)-2,3,3a,4,9,9a-hexahydro-1-[(3s)-3-hydroxyoctyl]-1h-benz[f]indene-2,5-diol, I3u17tzj64, (1r,2r,3as,9as)-1-[(3s)-3-hydroxyoctyl]-2,3,3a,4,9,9a-hexahydro-1h-cyclopenta[g]naphthalene-2,5-diol, (1r,2r,3as,9as)-1-[(s)-3-hydroxyoctyl]-2,3,3a,4,9,9a-hexahydro-1h-cyclopenta[b]naphthalene-2,5-diol

Molecular Formula

C₂₁H₃₂O₃

Molecular Weight

332.5 g/mol

InChI Key

UTGPMEMKMRVGNE-HUTLKBDOSA-N

FDA UNII

I3U17TZJ64

1 2D Structure

101692-02-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(1R,2R,3aS,9aS)-1-[(3S)-3-hydroxyoctyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[g]naphthalene-2,5-diol

2.1.2 InChI

InChI=1S/C21H32O3/c1-2-3-4-7-16(22)9-10-17-18-11-14-6-5-8-20(23)19(14)12-15(18)13-21(17)24/h5-6,8,15-18,21-24H,2-4,7,9-13H2,1H3/t15-,16-,17+,18-,21+/m0/s1

2.1.3 InChI Key

UTGPMEMKMRVGNE-HUTLKBDOSA-N

2.1.4 Canonical SMILES

CCCCCC(CCC1C(CC2C1CC3=C(C2)C(=CC=C3)O)O)O

2.1.5 Isomeric SMILES

CCCCC[C@@H](CC[C@H]1[C@@H](C[C@H]2[C@@H]1CC3=C(C2)C(=CC=C3)O)O)O

2.2 Other Identifiers

2.2.1 UNII

I3U17TZJ64

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 101692-02-8

2. (1r,2r,3as,9as)-1-((s)-3-hydroxyoctyl)-2,3,3a,4,9,9a-hexahydro-1h-cyclopenta[b]naphthalene-2,5-diol

3. (1r,2r,3as,9as)-2,3,3a,4,9,9a-hexahydro-1-[(3s)-3-hydroxyoctyl]-1h-benz[f]indene-2,5-diol

4. I3u17tzj64

5. (1r,2r,3as,9as)-1-[(3s)-3-hydroxyoctyl]-2,3,3a,4,9,9a-hexahydro-1h-cyclopenta[g]naphthalene-2,5-diol

6. (1r,2r,3as,9as)-1-[(s)-3-hydroxyoctyl]-2,3,3a,4,9,9a-hexahydro-1h-cyclopenta[b]naphthalene-2,5-diol

7. (1r,2r,3as,9as)-2,3,3a,4,9,9a-hexahydro-l-((3s)-3-hydroxyoctyl)-1h-benz(f)inden-2,5-diol

8. 1h-benz(f)indene-2,5-diol, 2,3,3a,4,9,9a-hexahydro-1-((3s)-3-hydroxyoctyl)-, (1r,2r,3as,9as)-

9. (1r,2r,3as,9as)-2,3,3a,4,9,9a-hexahydro-1-((3s)-3-hydroxyoctyl)-1h-benz[f]indene-2,5-diol

10. Unii-i3u17tzj64

11. Schembl433054

12. Utgpmemkmrvgne-hutlkbdosa-n

13. Amy21976

14. Akos030524395

15. F52929

16. A908155

17. (1r,2r,3as,9as)-1-[(3s)-3-hydroxyoctyl]-1h,2h,3h,3ah,4h,9h,9ah-cyclopenta[b]naphthalene-2,5-diol

18. (1r,2r,3as,9as)-2,3,3a,4,9,9a-hexahydro-1-((s)-3-hydroxyoctyl)-1h-cyclopenta[b]naphthalene-2,5-diol

2.4 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₂₁H₃₂O₃
Molecular Weight	332.5 g/mol
XLogP3	4.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	60.7
Heavy Atom Count	24
Formal Charge	0
Complexity	385
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

List of Suppliers

Full Screen View

Reset Filter

Ask Us

Indian Drugs And Chemicals

Upload your Marketing & Sales content on your company Virtual Booth, click HERE

Post an Enquiry

India

Virtual Booth

Digital Content

2-allyl-3-hydroxy-benzaldehyde

PDF Supplier PDF

URL Supplier Web Content

CAS Number

79950-42-8

End Use API

Treprostinil Sodium

About the Company

Indian Drugs & Chemicals has a wealth of knowledge & expertise that’s incomparable. We utilize this exp...

Indian Drugs & Chemicals has a wealth of knowledge & expertise that’s incomparable. We utilize this experience to provide both companies & individuals with immersible quality products. In addition, we ensure that we stay ahead of the industry curve by using the latest technologies. Rest assured that no matter what you need, you can rely on us to provide the absolute best. Mr. Manish Jatia, the founder has been in the industry for over 40 years who has build companies, products catering to the world market. He has been a foundation for Unique Labs, Hermes Labs & has partnerships with Omshri Labs to cater to the market of Human & Vet. API.

ASK
US

Upload
your Marketing & Sales content

LinkChem

Upload your Marketing & Sales content on your company Virtual Booth, click HERE

Post an Enquiry

China

Virtual Booth

Digital Content

2-allyl-3-methoxybenzaldehyde

PDF Supplier PDF

URL Supplier Web Content

CAS Number

94956-98-6

End Use API

Treprostinil Sodium

About the Company

LinkChem is a leading China headquartered CMO | CRO provider within the pharmaceutical industry. Our core...

LinkChem is a leading China headquartered CMO | CRO provider within the pharmaceutical industry. Our core focus includes: custom synthesis, process development, and manufacturing of key intermediates,API,amino acid and peptides. At LinkChem we support the virtually integrated pharma company with unparralled expertise throughout the entire product lifecycle. We collaborate with both Pharmaceutical and Generic companies from drug development to commercialization.

ASK
US

Upload
your Marketing & Sales content

Ocimum Labs

Upload your Marketing & Sales content on your company Virtual Booth, click HERE

Post an Enquiry

India

Virtual Booth

Digital Content

2-allyl-3-methoxybenzaldehyde

PDF Supplier PDF

URL Supplier Web Content

CAS Number

94956-98-6

End Use API

Treprostinil Sodium

About the Company

Ocimum Labs was founded in 2018 and started its R&D activities with a cutting-edge facility. The Hyderaba...

Ocimum Labs was founded in 2018 and started its R&D activities with a cutting-edge facility. The Hyderabad-based firm focuses on process research and development, with a particular emphasis on choosing an API portfolio with a wide range of applications for the global pharma market. It provides a wide variety of integrated products and services. By offering timely and high-quality support, Ocimum Labs hopes to become a strategic partner to global pharma firms and deliver high-quality, cost effective key starting materials, intermediates and APIs. It intends to build a manufacturing facility with a 230KL capacity in Visakhapatnam, India.

ASK
US

Upload
your Marketing & Sales content