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Deserpidine

Molecular FormulaC₃₂H₃₈N₂O₈
Average mass578.653 Da
Monoisotopic mass578.262817 Da
ChemSpider ID8232

- 6 of 6 defined stereocentres

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Featured data source

Names and Synonyms
Database ID(s)

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Deserpidine [BAN] [INN] [Wiki]

(1S,2R,3R,4aS,13bR,14aS)-2-méthoxy-3-{[(3,4,5-triméthoxyphényl)carbonyl]oxy}-1,2,3,4,4a,5,7,8,13,13b,14,14a-dodécahydroindolo[2',3':3,4]pyrido[1,2-b]isoquinoléine-1-carboxylate de méthyle

(3b,16b,17a,18b,20a)-17-Methoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]-3,20-yohimban-16-carboxylic Acid Methyl Ester

(3β,16β,17α,18β,20α)-17-Méthoxy-18-[(3,4,5-triméthoxybenzoyl)oxy]yohimban-16-carboxylate de méthyle [French] [ACD/IUPAC Name]

11-desmethoxyreserpine

131-01-1 [RN]

17a-Methoxy-18b-[(3,4,5-trimethoxybenzoyl)oxy]-3b,20a-yohimban-16b-carboxylic Acid Methyl Ester

17α-Methoxy-18β-[(3,4,5-trimethoxybenzoyl)oxy]-3β,20α-yohimban-16β-carboxylic acid methyl ester

205-004-8 [EINECS]

9016E3VB47

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canescine

Deserpidic Acid Methyl Ester 3,4,5-Trimethoxybenzoate

Deserpidina [Spanish] [INN]

déserpidine [French] [INN]

Deserpidinum [Latin] [INN]

Harmonyl [Trade name]

methyl (1S,2R,3R,4aS,13bR,14aS)-2-methoxy-3-{[(3,4,5-trimethoxyphenyl)carbonyl]oxy}-1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydroindolo[2',3':3,4]pyrido[1,2-b]isoquinoline-1-carboxylate

Methyl (3β,16β,17α,18β,20α)-17-methoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylate [ACD/IUPAC Name]

methyl (3β,16β,17α,18β,20α)-17-methoxy-18-{[(3,4,5-trimethoxyphenyl)carbonyl]oxy}yohimban-16-carboxylate

Methyl-(1S,2R,3R,4aS,13bR,14aS)-2-methoxy-3-{[(3,4,5-trimethoxyphenyl)carbonyl]oxy}-1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydroindolo[2',3':3,4]pyrido[1,2-b]isochinolin-1-carboxylat

Methyl-(3β,16β,17α,18β,20α)-17-methoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]johimban-16-carboxylat [German] [ACD/IUPAC Name]

MFCD00078228 [MDL number]

Raunormine [Trade name]

recanescine

Yohimban-16-carboxylic acid, 17-methoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]-, methyl ester, (3b,16b,17a,18b,20a)-

Yohimban-16-carboxylic acid, 17-methoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]-, methyl ester, (3β,16β,17α,18β,20α)-

Yohimban-16-carboxylic acid, 17-methoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]-, methyl ester, (3β,16β,17α,18β,20α)- [ACD/Index Name]

дезерпидин [Russian] [INN]

ديسيربيدين [Arabic] [INN]

地舍平 [Chinese] [INN]

Deresperine

(1S,2R,3R,4aS,13bR,14aS)-Methyl 2-methoxy-3-((3,4,5-trimethoxybenzoyl)oxy)-1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydroindolo[2',3':3,4]pyrido[1,2-b]isoquinoline-1-carboxylate

(3β,16β,17α,18β,20α)-17-methoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylic acid methyl ester

[131-01-1] [RN]

101820 [Beilstein]

11-demethoxyreserpine

11-demethoxyreserpine; 11-desmethoxyreserpine; Canescine; Deserpidina; Deserpidinum; Raunormine

3-β,20-α-Yohimban-16-β-carboxylic acid, 18-β-hydroxy-17-α-methoxy-, methyl ester, 3,4,5-trimethoxybenzoate (ester)

4-25-00-01282 (Beilstein Handbook Reference) [Beilstein]

Benz[g]indolo[2,3-a]quinolizine-1-carboxylic acid, 1,2,3,4,4a,5,7, 8,-13,13b,14,14a-dodecahydro-3-hydroxy-2-methoxy-, methyl ester, 3,4,5-trimethoxybenzoate

Benz[g]indolo[2,3-a]quinolizine-1-carboxylic acid, 1,2,3,4,4a,5,7,8,-13,13b,14,14a-dodecahydro-3-hydroxy-2-methoxy-, methyl ester, 3,4,5-trimethoxybenzoate

B-ESCIN

Canescin

CHEBI:27478

Desepridine

Deserpidic acid, methyl ester, 3,4,5-trimethoxybenzoate

Deserpidin

Deserpidina

Deserpidina [INN-Spanish]

déserpidine

Deserpidinum

Deserpidinum [INN-Latin]

deserpine

Desmethoxyreserpine

EINECS 205-004-8

ENDURONYL

Harmonyl®

MD-0232

methyl (1R,15S,17R,18R,19S,20S)-18-methoxy-17-(3,4,5-trimethoxybenzoyl)oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate

methyl (1R,15S,17R,18R,19S,20S)-18-methoxy-17-(3,4,5-trimethoxybenzoyloxy)-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4,6,8-tetraene-19-carboxylate

methyl (1R,15S,17R,18R,19S,20S)-18-methoxy-17-[(3,4,5-trimethoxyphenyl)carbonyloxy]-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8-tetraene-19-carboxylate

methyl (3β,16β,17α,18β,20α)-17-(methyloxy)-18-({[3,4,5-tris(methyloxy)phenyl]carbonyl}oxy)yohimban-16-carboxylate

Methyl 17α-methoxy-18β-((3,4,5-trimethoxybenzoyl)oxy)-3β,20α-yohimban-16β-carboxylate

Methyl 17α-methoxy-18β-(3,4,5-trimethoxybenzoyloxy)-3β,20α-yohimban-16β-carboxylat

Methyl 18β-hydroxy-17α-methoxy-3β,20α-yohimban-16β-carboxylate, 3,4,5-trimethoxybenzoate (ester)

Raunormin

Recanescin

Reserpidine

Tranquinil

UNII:9016E3VB47

UNII-9016E3VB47

дезерпидин

ديسيربيدين

地舍平

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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

656 [DBID]

A 11025 [DBID]

A-11025 [DBID]

AIDS002668 [DBID]

AIDS-002668 [DBID]

BRN 0101820 [DBID]

C06541 [DBID]

Lilly 22641 [DBID]

NSC 72138 [DBID]

NSC72138 [DBID]

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Experimental data
Predicted - ACD/Labs
Predicted - ChemAxon
Predicted - Mcule

Experimental Physico-chemical Properties
- Experimental Melting Point:
  
  230.5 °C Jean-Claude Bradley Open Melting Point Dataset 16991
Miscellaneous
- Safety:
  
  C02AA05 Wikidata Q5263885

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:	1.3±0.1 g/cm³
Boiling Point:	676.1±55.0 °C at 760 mmHg
Vapour Pressure:	0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization:	99.3±3.0 kJ/mol
Flash Point:	362.7±31.5 °C
Index of Refraction:	1.626
Molar Refractivity:	154.6±0.4 cm³
#H bond acceptors:	10
#H bond donors:	1
#Freely Rotating Bonds:	9
#Rule of 5 Violations:	2

ACD/LogP:	4.19
ACD/LogD (pH 5.5):	2.06
ACD/BCF (pH 5.5):	6.61
ACD/KOC (pH 5.5):	33.00
ACD/LogD (pH 7.4):	3.73
ACD/BCF (pH 7.4):	312.68
ACD/KOC (pH 7.4):	1560.00
Polar Surface Area:	109 Å²
Polarizability:	61.3±0.5 10^-24cm³
Surface Tension:	60.1±5.0 dyne/cm
Molar Volume:	436.7±5.0 cm³

Click to predict properties on the Chemicalize site

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Deserpidine

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