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468916

[3S-(3α,4aβ,8aβ)]-N-(tert-Butyl)decahydro-3-isoquinolinecarboxamide

Name: [3S-(3α,4aβ,8aβ)]-N-(tert-Butyl)decahydro-3-isoquinolinecarboxamide
Brand: ALDRICH

98%

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About This Item

Empirical Formula (Hill Notation):

C₁₄H₂₆N₂O

CAS Number:

136465-81-1

Molecular Weight:

238.37

NACRES:

NA.22

PubChem Substance ID:

24870541

UNSPSC Code:

12352005

MDL number:

MFCD01313226

Assay:

98%

Form:

solid

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Properties

assay

98%

form

solid

optical activity

[α]22/D −71°, c = 1 in methanol

mp

112-115 °C (lit.)

SMILES string

CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1

InChI

1S/C14H26N2O/c1-14(2,3)16-13(17)12-8-10-6-4-5-7-11(10)9-15-12/h10-12,15H,4-9H2,1-3H3,(H,16,17)/t10-,11+,12-/m0/s1

InChI key

UPZBXVBPICTBDP-TUAOUCFPSA-N

Description

Application

Fragment present in various HIV-1 protease inhibitors currently in clinical trials for AIDS treatment.

pictograms

GHS05,GHS07

signalword

Danger

hcodes

H302,H318,H412

pcodes

P273 - P280 - P305 + P351 + P338

Hazard Classifications

Acute Tox. 4 Oral - Aquatic Chronic 3 - Eye Dam. 1

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

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