Parand Darou Pharma

CAS 16196-70-6

Chemistry, 1 End Use API, 14 Related Intermediates

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Also known as: 16196-70-6, (2s)-2-[(1s,2s,6r,14r,15r,16r)-11,15-dimethoxy-5-methyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-16-yl]-3,3-dimethylbutan-2-ol, Schembl14408882, Dtxsid401106368, J-009880, (alphas)-alpha-tert-butyl-4,5alpha-epoxy-3,6-dimethoxy-alpha,17-dimethyl-6alpha,14alpha-ethanomorphinan-7alpha-methanol

Molecular Formula

C₂₇H₃₉NO₄

Molecular Weight

441.6 g/mol

InChI Key

KNDFXYGKWIQXNP-VFERFCJDSA-N

1 2D Structure

CAS 16196-70-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S)-2-[(1S,2S,6R,14R,15R,16R)-11,15-dimethoxy-5-methyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-16-yl]-3,3-dimethylbutan-2-ol

2.1.2 InChI

InChI=1S/C27H39NO4/c1-23(2,3)24(4,29)18-15-25-10-11-27(18,31-7)22-26(25)12-13-28(5)19(25)14-16-8-9-17(30-6)21(32-22)20(16)26/h8-9,18-19,22,29H,10-15H2,1-7H3/t18-,19-,22-,24+,25-,26+,27-/m1/s1

2.1.3 InChI Key

KNDFXYGKWIQXNP-VFERFCJDSA-N

2.1.4 Canonical SMILES

CC(C)(C)C(C)(C1CC23CCC1(C4C25CCN(C3CC6=C5C(=C(C=C6)OC)O4)C)OC)O

2.1.5 Isomeric SMILES

C[C@]([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)OC)O4)C)OC)(C(C)(C)C)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 16196-70-6

2. (2s)-2-[(1s,2s,6r,14r,15r,16r)-11,15-dimethoxy-5-methyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-16-yl]-3,3-dimethylbutan-2-ol

3. Schembl14408882

4. Dtxsid401106368

5. J-009880

6. (alphas)-alpha-tert-butyl-4,5alpha-epoxy-3,6-dimethoxy-alpha,17-dimethyl-6alpha,14alpha-ethanomorphinan-7alpha-methanol

7. (alphas,5alpha,7alpha)-alpha-(1,1-dimethylethyl)-4,5-epoxy-18,19-dihydro-3,6-dimethoxy-alpha,17-dimethyl-6,14-ethenomorphinan-7-methanol

2.3 Create Date

2007-02-08

3 Chemical and Physical Properties

Molecular Formula	C₂₇H₃₉NO₄
Molecular Weight	441.6 g/mol
XLogP3	4.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	441.28790873 g/mol
Monoisotopic Mass	441.28790873 g/mol
Topological Polar Surface Area	51.2 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	797
Isotope Atom Count	0
Defined Atom Stereocenter Count	7
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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Parand Darou is a knowledge-based company, focused on the production of Narcotic APIs.

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3-O-Methyl Norbuprenorphine

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CAS Number

16614-59-8

End Use API

Buprenorphine

About the Company

Parand Daro Pharmaceutical Company is a knowledge-based company that commenced operations in 2015, focusi...

Parand Daro Pharmaceutical Company is a knowledge-based company that commenced operations in 2015, focusing on the production of narcotic medicinal substances. Parand Daro holds the distinction of being the second private sector company in Iran to obtain a license from the Food and Drug Organization to manufacture narcotic products. Leveraging opioid raw materials, Parand Daro has successfully produced potent medicinal substances, including codeine phosphate, noscapine, thebaine, papaverine and oxycodone. Apart from catering to domestic demand, Parand Daro has also expanded its reach by exporting its products to global markets.