Notoamide D (CAS 937251-98-4): price, suppliers and safety

What is Notoamide D?

Plain description, key identifiers and synonyms

Notoamide D is an organic heterohexacyclic compound isolated from a mussel-derived Aspergillus species that is 3,6b,7,7a,10,11,12,12a,14a,15-decahydro-8H,13H-pyrano[2,3-g]pyrrolo[1'',2'':4',5']pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-8,13-dione which is substituted by two methyl groups at position 3, a hydroxy group at the 6b position, and a 2-methylbut-3-en-2-yl group at the 14a position (the 6bR, 7aS, 12aS, 14aS stereoisomer). It has a role as a mycotoxin. It is a notoamide, an aminal, a dipeptide and an organic heterohexacyclic compound.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name: (1R,13S,16S,22S)-1-hydroxy-7,7-dimethyl-13-(2-methylbut-3-en-2-yl)-6-oxa-12,14,20-triazahexacyclo[11.10.0.02,11.05,10.014,22.016,20]tricosa-2(11),3,5(10),8-tetraene-15,21-dione
CAS number: 937251-98-4
Molecular formula: C₂₆H₃₁N₃O₄
InChIKey: ZPTMKNVJQZMLNE-SSQYTKQRSA-N
InChI: InChI=1S/C26H31N3O4/c1-6-23(2,3)26-25(32,14-18-21(30)28-13-7-8-17(28)22(31)29(18)26)16-9-10-19-15(20(16)27-26)11-12-24(4,5)33-19/h6,9-12,17-18,27,32H,1,7-8,13-14H2,2-5H3/t17-,18-,25+,26-/m0/s1
Canonical SMILES: C=CC(C)(C)C12Nc3c(ccc4c3C=CC(C)(C)O4)C1(O)CC1C(=O)N3CCCC3C(=O)N12
Isomeric SMILES: CC1(C=CC2=C(O1)C=CC3=C2N[C@@]4([C@]3(C[C@@H]5N4C(=O)[C@@H]6CCCN6C5=O)O)C(C)(C)C=C)C

Synonyms

(-)-notoamide D

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight	449.55 g/molcalc.
Exact mass	449.2315 Dacalc.
LogP (octanol/water)	3calc.
Topological polar surface area	82.11 Å²calc.
Hydrogen bond donors	2calc.
Hydrogen bond acceptors	5calc.
Rotatable bonds	2calc.
Heavy atoms	33calc.
Rings	6calc.
Aromatic rings	1calc.
Fraction sp3 carbons	0.54calc.
Formal charge	0calc.
Stereocentres	4calc.
Lipinski rule of five	Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

O=C1C2CC3c4ccc5c(c4NC3N2C(=O)C2CCCN12)C=CCO5

6 rings, 25 atoms.

1 other chemical share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Notoamide D suppliers

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Notoamide D price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Roles

eukaryotic metabolite
fungal metabolite
metabolite
mycotoxin
poison
toxin

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Notoamide D is traded under.

HS 2939.80Indicative HS code

Natural or reproduced by synthesis, and their salts, esters and other derivatives not elsewhere classified…

World exports in 2024

$49.3M

+13.2% vs 2023, imports $61.4M

2019 to 2024

Top exporters

China31.7%
India * partner reported23.1%
South Africa7.8%

Top importers

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Notoamide D is indicative (it is known at chapter level only). Confirm the classification with your customs broker before shipping.

Parent and salt forms, stereoisomers, similar structures and isomers

Similar structures

Nearest neighbours by Morgan fingerprint Tanimoto similarity

Notoamide K chemical structure, C26H31N3O5, CAS 1092808-33-7

71% similar

Notoamide K1092808-33-7C₂₆H₃₁N₃O₅

Brevianamide E chemical structure, C21H25N3O3, CAS 23454-27-5

64% similar

Brevianamide E23454-27-5C₂₁H₂₅N₃O₃

Same formula isomers

Different compounds that share this molecular formula

All isomers

N-(3-(4-((4-(3,4-Dihydro-2-oxo-1(2H)-quinolinyl)-1-piperidinyl)carbonyl)phenoxy)propyl)acetamide chemical structure, C26H31N3O4, CAS 131631-89-5

N-(3-(4-((4-(3,4-Dihydro-2-oxo-1(2H)-quinolinyl)-1-piperidinyl)carbonyl)phenoxy)propyl)acetamide131631-89-5C₂₆H₃₁N₃O₄5 suppliers

Notoamide C chemical structure, C26H31N3O4, CAS 937251-97-3

Notoamide C937251-97-3C₂₆H₃₁N₃O₄

N-(3,4-Dimethylphenyl)-2-{1-[(2-methoxyphenyl)carbonyl]-3-oxodecahydroquinoxalin-2-yl}acetamide chemical structure, C26H31N3O4, CAS 1025062-31-0

N-(3,4-Dimethylphenyl)-2-{1-[(2-methoxyphenyl)carbonyl]-3-oxodecahydroquinoxalin-2-yl}acetamide1025062-31-0C₂₆H₃₁N₃O₄

[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-[1-(2-methylbenzoyl)piperidin-4-yl]methanone chemical structure, C26H31N3O4, CAS 851175-39-8

[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-[1-(2-methylbenzoyl)piperidin-4-yl]methanone851175-39-8C₂₆H₃₁N₃O₄

N-[4-(Acetylamino)phenyl]-2'-(2-methoxyethyl)-1'-oxo-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxamide chemical structure, C26H31N3O4, CAS 1212438-99-7

N-[4-(Acetylamino)phenyl]-2'-(2-methoxyethyl)-1'-oxo-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxamide1212438-99-7C₂₆H₃₁N₃O₄

N-[3-(Acetylamino)phenyl]-2'-(2-methoxyethyl)-1'-oxo-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxamide chemical structure, C26H31N3O4, CAS 1214631-88-5

N-[3-(Acetylamino)phenyl]-2'-(2-methoxyethyl)-1'-oxo-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxamide1214631-88-5C₂₆H₃₁N₃O₄

N-{[1-(4-Methoxyphenyl)cyclopentyl]methyl}-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]ethanediamide chemical structure, C26H31N3O4, CAS 1251560-91-4

N-{[1-(4-Methoxyphenyl)cyclopentyl]methyl}-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]ethanediamide1251560-91-4C₂₆H₃₁N₃O₄

Phenyl 4-((1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamido)methyl)piperidine-1-carboxylate chemical structure, C26H31N3O4, CAS 1235643-45-4

Phenyl 4-((1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamido)methyl)piperidine-1-carboxylate1235643-45-4C₂₆H₃₁N₃O₄

N-(2-(3,4-Dihydroisoquinolin-2(1H)-yl)-2-(1-methyl-1H-pyrrol-2-yl)ethyl)-3,4,5-trimethoxybenzamide chemical structure, C26H31N3O4, CAS 1049490-57-4

N-(2-(3,4-Dihydroisoquinolin-2(1H)-yl)-2-(1-methyl-1H-pyrrol-2-yl)ethyl)-3,4,5-trimethoxybenzamide1049490-57-4C₂₆H₃₁N₃O₄

$4'-(2H-1,3-Benzodioxol-5-yl)-10'-ethoxy-1-(propan-2-yl)-8'-oxa-5',6'-diazaspiro[piperidine-4,7'-tricyclo[7.4.0.0^{2,6}]tridecane]-1'(9'),4',10',12'-tetraene chemical structure, C26H31N3O4, CAS 899983-87-0$

4'-(2H-1,3-Benzodioxol-5-yl)-10'-ethoxy-1-(propan-2-yl)-8'-oxa-5',6'-diazaspiro[piperidine-4,7'-tricyclo[7.4.0.0^{2,6}]tridecane]-1'(9'),4',10',12'-tetraene899983-87-0C₂₆H₃₁N₃O₄

1-Benzyl-5-cyclohexyl-3-(2,4-dimethoxyphenyl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione chemical structure, C26H31N3O4, CAS 1005151-17-6

1-Benzyl-5-cyclohexyl-3-(2,4-dimethoxyphenyl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione1005151-17-6C₂₆H₃₁N₃O₄

3-Hydroxy-4-(4-isopropoxybenzoyl)-5-phenyl-1-(2-(piperazin-1-yl)ethyl)-1H-pyrrol-2(5H)-one chemical structure, C26H31N3O4, CAS 371233-69-1

3-Hydroxy-4-(4-isopropoxybenzoyl)-5-phenyl-1-(2-(piperazin-1-yl)ethyl)-1H-pyrrol-2(5H)-one371233-69-1C₂₆H₃₁N₃O₄

Frequently asked questions

Quick answers about Notoamide D, based on the data on this page

What is Notoamide D?

Notoamide D is an organic heterohexacyclic compound isolated from a mussel-derived Aspergillus species that is 3,6b,7,7a,10,11,12,12a,14a,15-decahydro-8H,13H-pyrano[2,3-g]pyrrolo[1'',2'':4',5']pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-8,13-dione which is substituted by two methyl groups at position 3, a hydroxy group at…

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Notoamide D

Key facts

What is Notoamide D?

Identifiers

Synonyms

Physical and chemical properties

Physical and chemical properties

Computed descriptors

Murcko scaffold

Safety and hazards

Notoamide D suppliers

Notoamide D price

Uses and applications

Roles

Regulatory status

HS code and trade data

Global trade

Frequently asked questions

What is Notoamide D?

Guides for buyers

Get quotes for Notoamide D

Key facts

What is Notoamide D?

Identifiers

Synonyms

Physical and chemical properties

Physical and chemical properties

Computed descriptors

Murcko scaffold

Safety and hazards

Notoamide D suppliers

Notoamide D price

Uses and applications

Roles

Regulatory status

HS code and trade data

Global trade

Related chemicals

Similar structures

Same formula isomers

Frequently asked questions

What is Notoamide D?

Guides for buyers

Get quotes for Notoamide D