CompoundList
Sign in
Amino acids and derivatives

Neocitrullamon

Also known as Citrullamon V, Phenytoin-3-norvaline, amino(diphenylhydantoin) valeric acid

CAS 38964-88-4Formula C20H21N3O4Molar mass 367.41 g/molEC 254-223-5
Get quotes Safety data
Neocitrullamon chemical structure, C20H21N3O4, CAS 38964-88-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
38964-88-4
Formula
C20H21N3O4
Molar mass
367.41 g/mol
EC number
254-223-5
HS code
293329
Category
Amino acids and derivatives

What is Neocitrullamon?

Plain description, key identifiers and synonyms

Amino(diphenylhydantoin) valeric acid is an imidazolidine-2,4-dione.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-amino-5-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)pentanoic acid
CAS number
38964-88-4 CAS number cross-checked
EC number
254-223-5
Molecular formula
C20H21N3O4
UNII
7L5LMT7B2H
InChIKey
PAJBBDCZSMDSFL-UHFFFAOYSA-N
InChI
InChI=1S/C20H21N3O4/c21-16(17(24)25)12-7-13-23-18(26)20(22-19(23)27,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16H,7,12-13,21H2,(H,22,27)(H,24,25)
SMILES (canonical and isomeric)
C1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CCCC(C(=O)O)N)C3=CC=CC=C3

Synonyms

  • Citrullamon V
  • Phenytoin-3-norvaline
  • amino(diphenylhydantoin) valeric acid
  • 2-amino-5-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)pentanoic acid
  • 1-Imidazolidinepentanoic acid, alpha-amino-2,5-dioxo-4,4-diphenyl-
  • 2-Amino-5-(5,5-diphenylhydantoin-3-yl)valeric acid
  • 5-(2,5-Dioxo-4,4-diphenylimidazolidin-1-yl)norvaline

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
367.41 g/molcalc.
Exact mass
367.1532 Dacalc.
LogP (octanol/water)
1.67calc.
Topological polar surface area
112.7 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
7calc.
Heavy atoms
27calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.25calc.
Formal charge
0calc.
Stereocentres
1calc.
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=C1NC(=O)C(c2ccccc2)(c2ccccc2)N1

O=C1NC(=O)C(c2ccccc2)(c2ccccc2)N1

3 rings, 19 atoms, the Phenytoin ring system.

187 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.

Neocitrullamon suppliers

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

No supplier listings yet

Post one free request and suppliers who make or trade Neocitrullamon can send you quotes. Your contact details stay private until you accept a quote.

Request quotesSell this chemical

Neocitrullamon 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.

Get latest price

Uses and applications

What the substance is used for, by industry and function

Roles

  • anticonvulsant
  • central nervous system depressant
  • central nervous system drug
  • pharmaceutical

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 Neocitrullamon is traded under.

HS 2933.29Indicative HS code

Compounds containing an unfused imidazole ring (whether or not hydrogenated) in the…

World exports in 2024
$1.43B
−7.6% vs 2023, imports $1.47B
2019 to 2024
Top exporters
  1. China28.1%
  2. France * partner reported12.7%
  3. India * partner reported10.3%
Top importers
  1. United Kingdom13.0%
  2. United States7.9%
  3. China6.5%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Neocitrullamon?

Amino(diphenylhydantoin) valeric acid is an imidazolidine-2,4-dione.

What is the CAS number of Neocitrullamon?

The CAS registry number of Neocitrullamon is 38964-88-4.

What is the molecular formula and weight of Neocitrullamon?

The molecular formula of Neocitrullamon is C20H21N3O4 and its molar mass is 367.41 g/mol.

What is Neocitrullamon used for?

Known uses and roles of Neocitrullamon include anticonvulsant, central nervous system depressant, central nervous system drug and pharmaceutical.

Is Neocitrullamon hazardous?

No GHS hazard classification for Neocitrullamon 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 Neocitrullamon?

Neocitrullamon is usually classified under HS code 293329 (Compounds containing an unfused imidazole ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Neocitrullamon?

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

What is the price of Neocitrullamon?

Suppliers quote Neocitrullamon 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 Neocitrullamon

Get quotes for Neocitrullamon

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell Neocitrullamon
Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
Embed this structure on your websiteShow code

Paste this code into your page to show the 2D structure of Neocitrullamon with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.

<iframe src="https://www.compoundlist.com/embed/structure/neocitrullamon-38964-88-4" title="Neocitrullamon structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>
Preview the embed

Explore more in Amino acids and derivatives or HS code 293329

Price on request
Free quotes, contact stays private
Get quotes