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Merck
CN

SMB00055

Benzomalvin-C

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About This Item

Empirical Formula (Hill Notation):
C24H17N3O3
CAS Number:
157047-98-8
Molecular Weight:
395.41
NACRES:
NA.25
PubChem Substance ID:
329824747
UNSPSC Code:
12352200
MDL number:
MFCD24849298

Key Documents

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InChI

1S/C24H17N3O3/c1-26-21(28)17-12-6-8-14-19(17)27-22(29)16-11-5-7-13-18(16)25-23(27)24(26)20(30-24)15-9-3-2-4-10-15/h2-14,20H,1H3/t20-,24-/m0/s1

SMILES string

CN1C(=O)c2ccccc2N3C(=O)c4ccccc4N=C3[C@]15O[C@H]5c6ccccc6

InChI key

TWDKBDSVUUKABK-RDPSFJRHSA-N

form

solid

application(s)

metabolomics
vitamins, nutraceuticals, and natural products

Related Categories

General description

Natural product derived from fungal source.

pictograms

Skull and crossbonesEnvironment
GHS06,GHS09

signalword

Danger

hcodes

H301,H410

Hazard Classifications

Acute Tox. 3 Oral - Aquatic Acute 1 - Aquatic Chronic 1

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
122228180V
122228-180V

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H H Sun et al.
The Journal of antibiotics, 47(5), 515-522 (1994-05-01)
In the course of screening microbial broths for neurokinin receptor antagonists, a series of new benzodiazepines, benzomalvins A (1), B (2) and C (3), has been isolated from the culture broth of a fungus identified as a Penicillium sp. Benzomalvin

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