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Screening compounds

Pendolmycin

Also known as (10S,13S)-13-(hydroxymethyl)-9-methyl-5-(2-methylbut-3-en-2-yl)-10-propan-2-yl-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1,4,6,8(15)-tetraen-11-one, 3H-Pyrrolo(4,3,2-gh)-1,4-benzodiazonin-3-one, 9-(1,1-dimethyl-2-propenyl)-1,2,4,5,6,8-hexahydro-5-(hydroxymethyl)-1-methyl-2-(1-methylethyl)-, (2S-(2R*,5R*))-, (10S,13S)-13-(hydroxymethyl)-9-methyl-5-(2-methylbut-3-en-2-yl)-10-propan-2-yl-3,9,12-triazatricyclo(6.6.1.04,15)pentadeca-1,4,6,8(15)-tetraen-11-one

CAS 119375-01-8Formula C22H31N3O2Molar mass 369.51 g/mol
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Pendolmycin chemical structure, C22H31N3O2, CAS 119375-01-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
119375-01-8
Formula
C22H31N3O2
Molar mass
369.51 g/mol
HS code
293379
Category
Screening compounds

What is Pendolmycin?

Plain description, key identifiers and synonyms

Pendolmycin is a member of indoles. It has a role as a metabolite.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(10S,13S)-13-(hydroxymethyl)-9-methyl-5-(2-methylbut-3-en-2-yl)-10-propan-2-yl-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1,4,6,8(15)-tetraen-11-one
CAS number
119375-01-8 CAS number cross-checked
Molecular formula
C22H31N3O2
InChIKey
JPJWIAYMFHOJRY-YWZLYKJASA-N
InChI
InChI=1S/C22H31N3O2/c1-7-22(4,5)16-8-9-17-18-14(11-23-19(16)18)10-15(12-26)24-21(27)20(13(2)3)25(17)6/h7-9,11,13,15,20,23,26H,1,10,12H2,2-6H3,(H,24,27)/t15-,20-/m0/s1
Canonical SMILES
C=CC(C)(C)c1ccc2c3c(c[nH]c13)CC(CO)NC(=O)C(C(C)C)N2C
Isomeric SMILES
CC(C)[C@H]1C(=O)N[C@@H](CC2=CNC3=C(C=CC(=C23)N1C)C(C)(C)C=C)CO

Synonyms

  • (10S,13S)-13-(hydroxymethyl)-9-methyl-5-(2-methylbut-3-en-2-yl)-10-propan-2-yl-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1,4,6,8(15)-tetraen-11-one
  • 3H-Pyrrolo(4,3,2-gh)-1,4-benzodiazonin-3-one, 9-(1,1-dimethyl-2-propenyl)-1,2,4,5,6,8-hexahydro-5-(hydroxymethyl)-1-methyl-2-(1-methylethyl)-, (2S-(2R*,5R*))-
  • (10S,13S)-13-(hydroxymethyl)-9-methyl-5-(2-methylbut-3-en-2-yl)-10-propan-2-yl-3,9,12-triazatricyclo(6.6.1.04,15)pentadeca-1,4,6,8(15)-tetraen-11-one
  • (2S,5S)-5-(Hydroxymethyl)-1-methyl-9-(2-methylbut-3-en-2-yl)-2-(propan-2-yl)-1,2,4,5,6,8-hexahydro-3H-[1,4]diazonino[7,6,5-cd]indol-3-one

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
369.51 g/molcalc.
Exact mass
369.2416 Dacalc.
LogP (octanol/water)
3.13calc.
Topological polar surface area
68.36 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
4calc.
Heavy atoms
27calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.5calc.
Formal charge
0calc.
Stereocentres
2calc.
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

Murcko scaffold of this chemical, O=C1CNc2cccc3[nH]cc(c23)CCN1

O=C1CNc2cccc3[nH]cc(c23)CCN1

3 rings, 16 atoms.

33 other chemicals 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.

Pendolmycin suppliers

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Pendolmycin 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

  • metabolite

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 Pendolmycin is traded under.

HS 2933.79Indicative HS code

Lactams, other lactams

World exports in 2024
$16.2B
−64.4% vs 2023, imports $15.4B
2019 to 2024
Top exporters
  1. Ireland37.0%
  2. France * partner reported15.6%
  3. Spain11.3%
Top importers
  1. Germany27.8%
  2. Ireland18.9%
  3. Panama * partner reported12.9%

* Partner reported figures, a lower bound.

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

The HS code shown for Pendolmycin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Pendolmycin, based on the data on this page

What is Pendolmycin?

Pendolmycin is a member of indoles. It has a role as a metabolite.

What is the CAS number of Pendolmycin?

The CAS registry number of Pendolmycin is 119375-01-8.

What is the molecular formula and weight of Pendolmycin?

The molecular formula of Pendolmycin is C22H31N3O2 and its molar mass is 369.51 g/mol.

What is Pendolmycin used for?

Known uses and roles of Pendolmycin include building blocks in research and laboratory, screening compounds in research and laboratory and metabolite.

Is Pendolmycin hazardous?

No GHS hazard classification for Pendolmycin is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Pendolmycin?

Pendolmycin is usually classified under HS code 293379 (Lactams, other lactams). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Pendolmycin?

Post a free request on CompoundList and suppliers of Pendolmycin will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Pendolmycin?

Suppliers quote Pendolmycin on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Pendolmycin

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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