CAS 1180002-01-0

Chemistry, 2 End Use API, 24 Related Intermediates

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Also known as: Zinc3983817

Molecular Formula

C₂₁H₃₀N₂O

Molecular Weight

326.5 g/mol

InChI Key

HVPVPQFZGNASDB-XSUYJZTMSA-N

1 2D Structure

CAS 1180002-01-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(1S,2R,9S,12R,13R,16S)-7,9,13-trimethyl-5,6-diazapentacyclo[10.8.0.02,9.04,8.013,18]icosa-4,7,18-trien-16-ol

2.1.2 InChI

InChI=1S/C21H30N2O/c1-12-19-18(23-22-12)11-17-15-5-4-13-10-14(24)6-8-20(13,2)16(15)7-9-21(17,19)3/h4,14-17,24H,5-11H2,1-3H3,(H,22,23)/t14-,15-,16+,17+,20-,21-/m0/s1

2.1.3 InChI Key

HVPVPQFZGNASDB-XSUYJZTMSA-N

2.1.4 Canonical SMILES

CC1=C2C(=NN1)CC3C2(CCC4C3CC=C5C4(CCC(C5)O)C)C

2.1.5 Isomeric SMILES

CC1=C2C(=NN1)C[C@H]3[C@@]2(CC[C@@H]4[C@@H]3CC=C5[C@@]4(CC[C@@H](C5)O)C)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Zinc3983817

2.3 Create Date

2006-11-09

3 Chemical and Physical Properties

Molecular Formula	C₂₁H₃₀N₂O
Molecular Weight	326.5 g/mol
XLogP3	4.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	326.235813585 g/mol
Monoisotopic Mass	326.235813585 g/mol
Topological Polar Surface Area	48.9 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	574
Isotope Atom Count	0
Defined Atom Stereocenter Count	6
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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Beijing Zhongshuo Pharmaceutical

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(2-(Methylamino)pyridin-3-yl)methyl 2-((tert-butoxycarb...

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CAS Number

1180002-01-0

End Use API

Isavuconazonium Sulfate

About the Company

Beijing Zhongshuo Pharmaceutical Technology Development Co., Ltd. (BJ Zhongshuo) was established in 2001....

Beijing Zhongshuo Pharmaceutical Technology Development Co., Ltd. (BJ Zhongshuo) was established in 2001. It came from a subsidiary company of China National Pharmaceutical Industry Company affiliated to China National Pharmaceutical Group (CNPIC). BJ Zhongshuo runs a medicine R&D centre in Beijing Economic-Technological Development Area with over 20 experienced specialists and a batch of advanced equipment for experiment and detection. The centre deals with the R&D for innovated drugs and Generic drugs as well as the optimization and improvement on exiting products. The R&D centre is now able to deal with 10-15 new products per year.

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(2-(methylamino)pyridin-3- yl)methyl 2-(tertbutoxycarbo...

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CAS Number

1180002-01-0

End Use API

Isavuconazonium Sulfate

About the Company

Porton Pharma Solutions Ltd. was founded in 2005, & the company's stock was successfully listed in Shenzh...

Porton Pharma Solutions Ltd. was founded in 2005, & the company's stock was successfully listed in Shenzhen Stock Exchange in 2014. Our R&D, manufacturing & operation facilities are located in China, Slovenia, the US, Belgium, Switzerland, Denmark, with more than 6000 employees worldwide. Porton leads the way with its excellent CDMO services, but also supplies APIs & intermediates for the treatment of critical diseases such as HIV/AIDS, diabetes, cancer, & influenza. Our Process Technology Centers & WHO/USFDA/EMA/PDMA/NMPA-inspected Facilities feature state-of-the-art equipment, highly flexible cGMP-compliant production assets.

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