CAS 16196-70-6 manufacturers and suppliers on PharmaCompass

CAS 16196-70-6

LGM Pharma accelerates & optimizes the new product pathway from early development through commercialization.

Virtual Booth

Contact Supplier

Munit offers scalable GMP micronization and particle size engineering to enhance drug solubility, bioavailability, and performance.

CHEMISTRY

Discover Molecule Insights

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

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

Market Place

Home

Menu

Post Enquiry

Market Place

Search

CAS 16196-70-6 manufacturers and suppliers on PharmaCompass

CAS 16196-70-6

CHEMISTRY

Discover Molecule Insights

What are you looking for?