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Isotope-labelled compounds

Reserpine-d9

Also known as TMID-0075, (3|A,16|A,17|A,18|A,20|A)-, Reserpine-(3',4',5'-trimethoxy-d9), VETRANAL(TM), analytical standard

CAS 84759-11-5Formula C33H40N2O9Molar mass 617.74 g/molEC 804-632-5
GHS signal word: Warning. Pictograms: Harmful or irritant
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Reserpine-d9 chemical structure, C33H40N2O9, CAS 84759-11-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
84759-11-5
Formula
C33H40N2O9
Molar mass
617.74 g/mol
EC number
804-632-5
HS code
284590
Category
Isotope-labelled compounds

What is Reserpine-d9?

Plain description, key identifiers and synonyms

Reserpine-d9 is a chemical substance with the molecular formula C33H40N2O9 and a molar mass of 617.74 g/mol. Its CAS registry number is 84759-11-5. The IUPAC name is methyl (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-[3,4,5-tris(trideuteriomethoxy)benzoyl]oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
methyl (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-[3,4,5-tris(trideuteriomethoxy)benzoyl]oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
CAS number
84759-11-5 CAS number cross-checked
EC number
804-632-5
Molecular formula
C33H40N2O9
InChIKey
QEVHRUUCFGRFIF-QXCASUSISA-N
InChI
InChI=1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,22+,24-,27-,28+,31+/m1/s1/i2D3,3D3,4D3
Canonical SMILES
COC(=O)C1C2CC3c4[nH]c5cc(OC)ccc5c4CCN3CC2CC(OC(=O)c2cc(OC)c(OC)c(OC)c2)C1OC
Isomeric SMILES
[2H]C([2H])([2H])OC1=CC(=CC(=C1OC([2H])([2H])[2H])OC([2H])([2H])[2H])C(=O)O[C@@H]2C[C@@H]3CN4CCC5=C([C@H]4C[C@@H]3[C@@H]([C@H]2OC)C(=O)OC)NC6=C5C=CC(=C6)OC

Synonyms

  • TMID-0075
  • (3|A,16|A,17|A,18|A,20|A)-
  • Reserpine-(3',4',5'-trimethoxy-d9), VETRANAL(TM), analytical standard
  • Methyl (3beta,16beta,17alpha,18beta,20alpha)-11,17-dimethoxy-18-({3,4,5-tris[(~2~H_3_)methyloxy]benzoyl}oxy)yohimban-16-carboxylate
  • Methyl 11,17alpha-dimethoxy-18beta-({3,4,5-tris[(~2~H_3_)methyloxy]benzoyl}oxy)-3beta,20alpha-yohimban-16beta-carboxylate

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
617.74 g/molcalc.
Exact mass
617.3299 Dacalc.
LogP (octanol/water)
4.17calc.
Topological polar surface area
117.8 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
10calc.
Rotatable bonds
8calc.
Heavy atoms
44calc.
Rings
6calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.52calc.
Formal charge
0calc.
Stereocentres
6calc.
Lipinski rule of five
Passes (1 violation)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=C(OC1CCC2CC3c4[nH]c5ccccc5c4CCN3CC2C1)c1ccccc1

O=C(OC1CCC2CC3c4[nH]c5ccccc5c4CCN3CC2C1)c1ccccc1

6 rings, 30 atoms.

52 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H302 + H312 + H332Harmful if swallowed. Harmful in contact with skin. Harmful if inhaled.
  • H302Harmful if swallowed.
  • H312Harmful in contact with skin.
  • H332Harmful if inhaled.
Precautionary statements (13)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • 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.
  • P301 + P317If swallowed: Get medical help.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P317Get medical help.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • 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

Reserpine-d9 suppliers

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Reserpine-d9 price

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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 Reserpine-d9 is traded under.

HS 2845.90Indicative HS code

Compounds, inorganic or organic, of such isotopes, whether or not chemically defined

World exports in 2024
$2.67B
+19.0% vs 2023, imports $1.67B
2019 to 2024
Top exporters
  1. Ireland55.3%
  2. Hong Kong11.8%
  3. United States10.7%
Top importers
  1. China24.3%
  2. Ireland21.9%
  3. South Korea13.3%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Reserpine-d9 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Reserpine-d9, based on the data on this page

What is Reserpine-d9?

Reserpine-d9 is a chemical substance with the molecular formula C33H40N2O9 and a molar mass of 617.74 g/mol. Its CAS registry number is 84759-11-5.

What is the CAS number of Reserpine-d9?

The CAS registry number of Reserpine-d9 is 84759-11-5.

What is the molecular formula and weight of Reserpine-d9?

The molecular formula of Reserpine-d9 is C33H40N2O9 and its molar mass is 617.74 g/mol.

What is Reserpine-d9 used for?

Known uses and roles of Reserpine-d9 include isotope-labelled compounds in research and laboratory.

Is Reserpine-d9 hazardous?

Reserpine-d9 carries the GHS signal word "Warning". Main hazards: harmful if swallowed. harmful in contact with skin. harmful if inhaled, harmful if swallowed, harmful in contact with skin. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Reserpine-d9?

Reserpine-d9 is usually classified under HS code 284590 (Isotopes other than those of heading 2844, compounds, inorganic or organic, of such…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Reserpine-d9?

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What is the price of Reserpine-d9?

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Guides for buyers

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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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