CompoundList
Sign in
Heterocyclic building blocks

beta-Ergocryptine phosphate

Also known as Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-((1S)-1-methylpropyl)-, (5'alpha)-, phosphate (1:1) (salt), Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-((1S)-1-methylpropyl)-, (5'.alpha.)-, phosphate (1:1) (salt)

CAS 328236-49-3Formula C32H44N5O9PMolar mass 673.70 g/mol
Get quotes Safety data
beta-Ergocryptine phosphate chemical structure, C32H44N5O9P, CAS 328236-49-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
328236-49-3
Formula
C32H44N5O9P
Molar mass
673.70 g/mol
HS code
293499
Category
Heterocyclic building blocks

What is beta-Ergocryptine phosphate?

Plain description, key identifiers and synonyms

beta-Ergocryptine phosphate is a chemical substance with the molecular formula C32H44N5O9P and a molar mass of 673.70 g/mol. Its CAS registry number is 328236-49-3. The IUPAC name is (6aR,9R)-N-[(1S,2S,4R,7S)-7-[(2S)-butan-2-yl]-2-hydroxy-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide, phosphoric acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(6aR,9R)-N-[(1S,2S,4R,7S)-7-[(2S)-butan-2-yl]-2-hydroxy-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide, phosphoric acid
CAS number
328236-49-3
Molecular formula
C32H44N5O9P
UNII
61KMR73K97
InChIKey
MZYGNRLYCKVHGZ-BVDBMUKSSA-N
InChI
InChI=1S/C32H41N5O5.H3O4P/c1-6-18(4)27-29(39)36-12-8-11-25(36)32(41)37(27)30(40)31(42-32,17(2)3)34-28(38)20-13-22-21-9-7-10-23-26(21)19(15-33-23)14-24(22)35(5)16-20;1-5(2,3)4/h7,9-10,13,15,17-18,20,24-25,27,33,41H,6,8,11-12,14,16H2,1-5H3,(H,34,38);(H3,1,2,3,4)/t18-,20+,24+,25-,27-,31+,32-;/m0./s1
Canonical SMILES
CCC(C)C1C(=O)N2CCCC2C2(O)OC(NC(=O)C3C=C4c5cccc6[nH]cc(c56)CC4N(C)C3)(C(C)C)C(=O)N12.O=P(O)(O)O
Isomeric SMILES
CC[C@H](C)[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@@H]5CC6=CNC7=CC=CC(=C67)C5=C4)C)O.OP(=O)(O)O

Synonyms

  • Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-((1S)-1-methylpropyl)-, (5'alpha)-, phosphate (1:1) (salt)
  • Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-((1S)-1-methylpropyl)-, (5'.alpha.)-, phosphate (1:1) (salt)

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
673.70 g/molcalc.
Exact mass
673.2877 Dacalc.
LogP (octanol/water)
1.5calc.
Topological polar surface area
196 Ųcalc.
Hydrogen bond donors
6calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
5calc.
Heavy atoms
47calc.
Rings
7calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.59calc.
Formal charge
0calc.
Stereocentres
7calc.
Components
2calc.
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, O=C(NC1OC2C3CCCN3C(=O)CN2C1=O)C1C=C2c3cccc4[nH]cc(c34)CC2NC1

O=C(NC1OC2C3CCCN3C(=O)CN2C1=O)C1C=C2c3cccc4[nH]cc(c34)CC2NC1

7 rings, 33 atoms.

61 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.

beta-Ergocryptine phosphate 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 beta-Ergocryptine phosphate can send you quotes. Your contact details stay private until you accept a quote.

Request quotesSell this chemical

beta-Ergocryptine phosphate 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

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 beta-Ergocryptine phosphate 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 beta-Ergocryptine phosphate is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about beta-Ergocryptine phosphate, based on the data on this page

What is beta-Ergocryptine phosphate?

beta-Ergocryptine phosphate is a chemical substance with the molecular formula C32H44N5O9P and a molar mass of 673.70 g/mol. Its CAS registry number is 328236-49-3.

What is the CAS number of beta-Ergocryptine phosphate?

The CAS registry number of beta-Ergocryptine phosphate is 328236-49-3.

What is the molecular formula and weight of beta-Ergocryptine phosphate?

The molecular formula of beta-Ergocryptine phosphate is C32H44N5O9P and its molar mass is 673.70 g/mol.

What is beta-Ergocryptine phosphate used for?

Known uses and roles of beta-Ergocryptine phosphate include building blocks in research and laboratory.

Is beta-Ergocryptine phosphate hazardous?

No GHS hazard classification for beta-Ergocryptine phosphate 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 beta-Ergocryptine phosphate?

beta-Ergocryptine phosphate 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 beta-Ergocryptine phosphate?

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

What is the price of beta-Ergocryptine phosphate?

Suppliers quote beta-Ergocryptine phosphate 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 beta-Ergocryptine phosphate

Get quotes for beta-Ergocryptine phosphate

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell beta-Ergocryptine phosphate
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 beta-Ergocryptine phosphate 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/beta-ergocryptine-phosphate-328236-49-3" title="beta-Ergocryptine phosphate 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 Heterocyclic building blocks or HS code 293499

Price on request
Free quotes, contact stays private
Get quotes