CP-472555 HYDROCHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H32N2O2.ClH
Molecular Weight	501.059
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.[H][C@]12CCC3=CC(=CC=C3[C@]1(CC4=CC=CC=C4)CC[C@@](O)(C2)C#CC)C(=O)NCC5=CC=CN=C5

InChI

InChIKey=JXKFBRHBVUUTEW-LUYZCUGRSA-N

InChI=1S/C31H32N2O2.ClH/c1-2-14-30(35)15-16-31(19-23-7-4-3-5-8-23)27(20-30)12-10-25-18-26(11-13-28(25)31)29(34)33-22-24-9-6-17-32-21-24;/h3-9,11,13,17-18,21,27,35H,10,12,15-16,19-20,22H2,1H3,(H,33,34);1H/t27-,30-,31+;/m1./s1

HIDE SMILES / InChI

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C31H32N2O2
Molecular Weight	464.598
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:26:40 GMT 2023` Edited by `admin` on `Sat Dec 16 08:26:40 GMT 2023`
Record UNII	IER7L5Y5OB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CP-472555 HYDROCHLORIDE

Common Name

English

CP-472555 MONOHYDROCHLORIDE

Common Name

English

2-PHENANTHRENECARBOXAMIDE, 4B,5,6,7,8,8A,9,10-OCTAHYDRO-7-HYDROXY-4B-(PHENYLMETHYL)-7-(1-PROPYN-1-YL)-N-(3-PYRIDINYLMETHYL)-, HYDROCHLORIDE (1:1), (4BS,7R,8AR)-

Systematic Name

English

2-PHENANTHRENECARBOXAMIDE, 4B,5,6,7,8,8A,9,10-OCTAHYDRO-7-HYDROXY-4B-(PHENYLMETHYL)-7-(1-PROPYNYL)-N-(3-PYRIDINYLMETHYL)-, MONOHYDROCHLORIDE, (4BS,7R,8AR)-

Systematic Name

English

Code System Code Type Description

FDA UNII

IER7L5Y5OB

Created by admin on Sat Dec 16 08:26:40 GMT 2023 , Edited by admin on Sat Dec 16 08:26:40 GMT 2023

PRIMARY

CAS

305825-06-3

Created by admin on Sat Dec 16 08:26:40 GMT 2023 , Edited by admin on Sat Dec 16 08:26:40 GMT 2023

PRIMARY

CAS

305825-01-8

Created by admin on Sat Dec 16 08:26:40 GMT 2023 , Edited by admin on Sat Dec 16 08:26:40 GMT 2023

ALTERNATIVE

PUBCHEM

72941800

Created by admin on Sat Dec 16 08:26:40 GMT 2023 , Edited by admin on Sat Dec 16 08:26:40 GMT 2023

PRIMARY

Related Record Type Details


					6T0KV7024R

CP-472555

ACTIVE MOIETY