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Screening compounds

Penitrem A

Also known as Tremortin A, C37H44ClNO6, Bio1_000132

CAS 12627-35-9Formula C37H44ClNO6Molar mass 634.21 g/molEC 634-132-0
GHS signal word: Danger. Pictograms: Acute toxicity (severe) 3 suppliers listed
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Penitrem A chemical structure, C37H44ClNO6, CAS 12627-35-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
12627-35-9
Formula
C37H44ClNO6
Molar mass
634.21 g/mol
EC number
634-132-0
HS code
293499
Category
Screening compounds

What is Penitrem A?

Plain description, key identifiers and synonyms

Penitrem A is an organic heterotricyclic compound and an organooxygen compound.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1S,2R,5S,6S,8R,9S,10R,12S,15R,16S,25R,27S,28R)-21-chloro-15,16,33,33-tetramethyl-24-methylidene-10-prop-1-en-2-yl-7,11,32-trioxa-18-azadecacyclo[25.4.2.02,16.05,15.06,8.06,12.017,31.019,30.022,29.025,28]tritriaconta-17(31),19,21,29-tetraene-5,9,28-triol
CAS number
12627-35-9 CAS number cross-checked
EC number
634-132-0
Molecular formula
C37H44ClNO6
UNII
244AU85PR7
MDL number
MFCD00083465, MFCD12547934
InChIKey
JDUWHZOLEDOQSR-JKPSMKLGSA-N
InChI
InChI=1S/C37H44ClNO6/c1-15(2)28-27(40)31-37(45-31)23(43-28)9-10-33(6)34(7)18(8-11-35(33,37)41)29-25-24-21(39-30(25)34)14-20(38)17-12-16(3)19-13-22(32(4,5)44-29)36(19,42)26(17)24/h14,18-19,22-23,27-29,31,39-42H,1,3,8-13H2,2,4-7H3/t18-,19+,22+,23-,27-,28+,29-,31+,33+,34+,35-,36+,37-/m0/s1
Canonical SMILES
C=C(C)C1OC2CCC3(C)C4(C)c5[nH]c6cc(Cl)c7c8c6c5C(OC(C)(C)C5CC(C(=C)C7)C85O)C4CCC3(O)C23OC3C1O
Isomeric SMILES
CC(=C)[C@@H]1[C@@H]([C@@H]2[C@@]3(O2)[C@@H](O1)CC[C@]4([C@]3(CC[C@@H]5[C@@]4(C6=C7[C@H]5OC([C@H]8C[C@H]9[C@@]8(C1=C7C(=CC(=C1CC9=C)Cl)N6)O)(C)C)C)O)C)O

Synonyms

  • Tremortin A
  • C37H44ClNO6
  • Bio1_000132
  • Bio1_000621
  • Bio1_001110
  • Bio2_000151
  • Bio2_000631
  • Penitrem A, >=95% (HPLC and TLC)

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
634.21 g/molcalc.
Exact mass
633.2857 Dacalc.
LogP (octanol/water)
5.66calc.
Topological polar surface area
107.5 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
1calc.
Heavy atoms
45calc.
Rings
10calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.68calc.
Formal charge
0calc.
Stereocentres
13calc.
Lipinski rule of five
Fails (2 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, C=C1Cc2ccc3[nH]c4c5c3c2C2C(COC5C3CCC5C(CCC6OCCC7OC675)C43)CC12

C=C1Cc2ccc3[nH]c4c5c3c2C2C(COC5C3CCC5C(CCC6OCCC7OC675)C43)CC12

10 rings, 34 atoms.

5 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS06: Acute toxicity (severe)
Acute toxicity (severe)

Hazard statements

  • H300Fatal if swallowed.
  • H310Fatal in contact with skin.
  • H330Fatal if inhaled.
Precautionary statements (18)
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P262Do not get in eyes, on skin, or on clothing.
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P284In case of inadequate ventilation wear respiratory protection.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P316Get emergency medical help immediately.
  • P320Specific treatment is urgent (see supplemental first aid instructions on the label).
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P361 + P364Take off immediately all contaminated clothing. And wash it before reuse.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

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

Full safety data and first aid

Penitrem A suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

All 3 suppliers

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Where suppliers are based

3 suppliers in 2 countries

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Penitrem A 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

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 Penitrem A is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

Quick answers about Penitrem A, based on the data on this page

What is Penitrem A?

Penitrem A is an organic heterotricyclic compound and an organooxygen compound.

What is the CAS number of Penitrem A?

The CAS registry number of Penitrem A is 12627-35-9.

What is the molecular formula and weight of Penitrem A?

The molecular formula of Penitrem A is C37H44ClNO6 and its molar mass is 634.21 g/mol.

What is Penitrem A used for?

Known uses and roles of Penitrem A include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Penitrem A hazardous?

Penitrem A carries the GHS signal word "Danger". Main hazards: fatal if swallowed, fatal in contact with skin, fatal if inhaled. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Penitrem A?

Penitrem A is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Penitrem A?

CompoundList lists 3 suppliers of Penitrem A in United States and United Kingdom. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Penitrem A?

Suppliers quote Penitrem A 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 Penitrem A

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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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