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CAS 1180002-01-0 manufacturers and suppliers on PharmaCompass

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CAS 1180002-01-0
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 Weight 326.5 g/mol
Molecular Formula C21H30N2O
XLogP34.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass326.235813585 g/mol
Monoisotopic Mass326.235813585 g/mol
Topological Polar Surface Area48.9 Ų
Heavy Atom Count24
Formal Charge0
Complexity574
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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Established in 2003 by G. Chandra Mouliswar Reddy, Virupaksha strives to supply the highest quality produ...
Established in 2003 by G. Chandra Mouliswar Reddy, Virupaksha strives to supply the highest quality products to its customers. In less than two decades, the Hyderabad-headquartered company has expanded from a single manufacturing unit to four units employing over 900 employees. Virupaksha’s four manufacturing units are located at Kazipally, Pashamylaram, Humnabad and Gandhi Nagar. Its manufacturing facility is FDA-approved. It now has a large customer base of over 300 customers and a presence in more than 100 countries.
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368421-58-3
Established in 2003 by G. Chandra Mouliswar Reddy, Virupaksha strives to supply the highest quality produ...
Established in 2003 by G. Chandra Mouliswar Reddy, Virupaksha strives to supply the highest quality products to its customers. In less than two decades, the Hyderabad-headquartered company has expanded from a single manufacturing unit to four units employing over 900 employees. Virupaksha’s four manufacturing units are located at Kazipally, Pashamylaram, Humnabad and Gandhi Nagar. Its manufacturing facility is FDA-approved. It now has a large customer base of over 300 customers and a presence in more than 100 countries.
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DIA 2024

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