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Pyrrolo[2,3-b]indol-5-ol, 1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethyl-, 5-(N-methylcarbamate), (3aS,8aR)-, sulfate (2:1)

Pyrrolo[2,3-b]indol-5-ol, 1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethyl-, 5-(N-methylcarbamate), (3aS,8aR)-, sulfate (2:1) structure

CAS No:
64-47-1
Formula:
C15H21N3O2.¹/2H2O4S
Chemical Name:
Pyrrolo[2,3-b]indol-5-ol, 1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethyl-, 5-(N-methylcarbamate), (3aS,8aR)-, sulfate (2:1)
Synonyms:
Pyrrolo[2,3-b]indol-5-ol,1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethyl-,5-(N-methylcarbamate),(3aS,8aR)-,sulfate (2:1);Physostigmine,sulfate (2:1);Pyrrolo[2,3-b]indol-5-ol,1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethyl-,methylcarbamate (ester),(3aS-cis)-,sulfate (2:1) (salt);Pyrrolo[2,3-b]indol-5-ol,1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethyl-,methylcarbamate (ester),(3aS,8aR)-,sulfate (2:1) (salt);Eserine sulfate;Eserine sulphate;Physostigmine sulfate;Physostigmine sulphate;Physostigmine hemisulfate;11036-67-2;11041-29-5

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Pyrrolo[2,3-b]indol-5-ol, 1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethyl-, 5-(N-methylcarbamate), (3aS,8aR)-, sulfate (2:1) Basic Attributes

Molecular Weight：

648.77

Exact Mass：

648.29400

EC Number：

200-585-4

Characteristics

PSA：

172.60000

XLogP3：

4.76340

Density：

1.0911 (rough estimate)

Melting Point：

105-106 °C

Boiling Point：

557.5ºC at 760 mmHg

Flash Point：

291ºC

Storage Conditions：

2-8°C

Safety Information

Packing level：

Hazard category：

6.1(a)

Transport codes：

UN 2811 6.1/PG 1

wgk germany：

hazard class code：

26/28

safety instructions：

25-45

RTECS Number：

UY8585000

Marks：

T+

Precautionary statement(s)：

P260-P264-P284-P301 + P310-P310

Hazard Statements：

H300 + H330

GHS Classification：

|Danger|H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]|P260, P264, P270, P271, P284, P301+P310, P304+P340, P310, P320, P321, P330, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Pyrrolo[2,3-b]indol-5-ol, 1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethyl-, 5-(N-methylcarbamate), (3aS,8aR)-, sulfate (2:1) Use and Manufacturing

Uses

Ophtalmic agent;Cholinesterase inhibitor

Manufacturing Info：

Pyrrolo[2,3-b]indol-5-ol, 1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethyl-, 5-(N-methylcarbamate), (3aS,8aR)-, sulfate (2:1): INACTIVE

Computed Properties

Molecular Weight:648.8
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:4
Exact Mass:648.29413356
Monoisotopic Mass:648.29413356
Topological Polar Surface Area:181
Heavy Atom Count:45
Complexity:465
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes

Learn More Other Chemicals

Pyrrolo[2,3-b]indol-5-ol, 1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethyl-, 5-(N-methylcarbamate), hydrobromide (1:1), (3aS,8aR)-

6091-13-0

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Guide of Pyrrolo[2,3-b]indol-5-ol, 1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethyl-, 5-(N-methylcarbamate), (3aS,8aR)-, sulfate (2:1)

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

Pyrrolo[2,3-b]indol-5-ol, 1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethyl-, 5-(N-methylcarbamate), (3aS,8aR)-, sulfate (2:1)

SDS

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