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Amines and amides

Validamine

Also known as (1R,2S,3S,4S,6R)-4-amino-6-(hydroxymethyl)cyclohexane-1,2,3-triol, 1-Amino-1,5,6-trideoxy-5-(hydroxymethyl)-D-chiro-inositol, 1D-1-amino-1,5,6-trideoxy-5-(hydroxymethyl)-chiro-inositol

CAS 32780-32-8Formula C7H15NO4Molar mass 177.20 g/mol
1 supplier listed
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Validamine chemical structure, C7H15NO4, CAS 32780-32-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
32780-32-8
Formula
C7H15NO4
Molar mass
177.20 g/mol
HS code
292219
Category
Amines and amides

What is Validamine?

Plain description, key identifiers and synonyms

Validamine is an amino cyclitol consisting of 1D-chiro-inositol lacking the 6-hydroxy group and having those at positions 1 and 5 replaced by amino and hydroxymethyl groups respectively. It is functionally related to a 1D-chiro-inositol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1R,2S,3S,4S,6R)-4-amino-6-(hydroxymethyl)cyclohexane-1,2,3-triol
CAS number
32780-32-8 CAS number cross-checked
Molecular formula
C7H15NO4
InChIKey
GSQYAWMREAXBHF-UOYQFSTFSA-N
InChI
InChI=1S/C7H15NO4/c8-4-1-3(2-9)5(10)7(12)6(4)11/h3-7,9-12H,1-2,8H2/t3-,4+,5-,6+,7+/m1/s1
Canonical SMILES
NC1CC(CO)C(O)C(O)C1O
Isomeric SMILES
C1[C@@H]([C@H]([C@@H]([C@H]([C@H]1N)O)O)O)CO

Synonyms

  • (1R,2S,3S,4S,6R)-4-amino-6-(hydroxymethyl)cyclohexane-1,2,3-triol
  • 1-Amino-1,5,6-trideoxy-5-(hydroxymethyl)-D-chiro-inositol
  • 1D-1-amino-1,5,6-trideoxy-5-(hydroxymethyl)-chiro-inositol
  • (+)-validamine
  • (1R,2S,3S,4S)-4-amino-6-(hydroxymethyl)cyclohexane-1,2,3-triol
  • PT141(Brmelanotide)
  • 4-Amino-6-(hydroxymethyl)cyclohexane-1,2,3-triol
  • D-chiro-Inositol, 1-amino-1,5,6-trideoxy-5-(hydroxymethyl)-

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
177.20 g/molcalc.
Exact mass
177.1001 Dacalc.
LogP (octanol/water)
-2.59calc.
Topological polar surface area
106.9 Ųcalc.
Hydrogen bond donors
5calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
1calc.
Heavy atoms
12calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
1calc.
Formal charge
0calc.
Stereocentres
5calc.
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, C1CCCCC1

C1CCCCC1

1 ring, 6 atoms, the Cyclohexane ring system.

24,737 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.

Validamine suppliers

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Where suppliers are based

1 supplier in 1 country

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Validamine price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

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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 Validamine is traded under.

HS 2922.19Indicative HS code

Amino-alcohols, other than those containing more than one kind of oxygen function, their…

World exports in 2024
$2.2B
−4.7% vs 2023, imports $2.27B
2019 to 2024
Top exporters
  1. China21.7%
  2. Germany17.3%
  3. United States15.6%
Top importers
  1. India * partner reported11.0%
  2. United States9.0%
  3. Germany7.2%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Validamine?

Validamine is an amino cyclitol consisting of 1D-chiro-inositol lacking the 6-hydroxy group and having those at positions 1 and 5 replaced by amino and hydroxymethyl groups respectively. It is functionally related to a 1D-chiro-inositol.

What is the CAS number of Validamine?

The CAS registry number of Validamine is 32780-32-8.

What is the molecular formula and weight of Validamine?

The molecular formula of Validamine is C7H15NO4 and its molar mass is 177.20 g/mol.

What is Validamine used for?

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

Is Validamine hazardous?

No GHS hazard classification for Validamine 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 Validamine?

Validamine is usually classified under HS code 292219 (Amino-alcohols, other than those containing more than one kind of oxygen function, their…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Validamine?

CompoundList lists 1 supplier of Validamine in Spain. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Validamine?

Suppliers quote Validamine 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 Validamine

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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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