IPROCINODINE II HYDROCHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C40H65N13O13.3ClH
Molecular Weight	1045.406
Optical Activity	UNSPECIFIED
Defined Stereocenters	13 / 13
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of IPROCINODINE II HYDROCHLORIDE

Structure Search

SMILES

Cl.Cl.Cl.[H][C@@]12CO[C@@]([H])(O[C@@H]3CO[C@H](NC(=O)N[C@@H]4[C@@H](C)O[C@H](OC5=CC=C(\C=C\C(=O)NCCCNCCCCNC(C)C)C=C5)[C@H](NC(N)=N)[C@H]4O)[C@H](NC(N)=O)[C@H]3O)[C@H](NC(N)=O)[C@@]1([H])NC(=O)O2

InChI

InChIKey=IAUIIKYMDWGPBH-AOKNTNQYSA-N

InChI=1S/C40H65N13O13.3ClH/c1-19(2)46-15-5-4-13-45-14-6-16-47-25(54)12-9-21-7-10-22(11-8-21)64-35-30(48-36(41)42)32(56)26(20(3)63-35)51-39(59)53-33-29(50-38(44)58)31(55)24(18-61-33)65-34-28(49-37(43)57)27-23(17-62-34)66-40(60)52-27;;;/h7-12,19-20,23-24,26-35,45-46,55-56H,4-6,13-18H2,1-3H3,(H,47,54)(H,52,60)(H4,41,42,48)(H3,43,49,57)(H3,44,50,58)(H2,51,53,59);3*1H/b12-9+;;;/t20-,23-,24-,26-,27+,28-,29-,30-,31+,32+,33+,34+,35-;;;/m1.../s1

HIDE SMILES / InChI

Molecular Formula	C40H65N13O13
Molecular Weight	936.0234
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	13 / 13
E/Z Centers	1
Optical Activity	UNSPECIFIED

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:02:30 GMT 2023` Edited by `admin` on `Sat Dec 16 08:02:30 GMT 2023`
Record UNII	41L7L7LGVL
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

IPROCINODINE II HYDROCHLORIDE

Common Name

English

ANTIBIOTIC BM-123.GAMMA.2, 1-(1-METHYLETHYL)-, HYDROCHLORIDE

Common Name

English

1-(1-METHYLETHYL)CINODINE II HYDROCHLORIDE

Common Name

English

Code System Code Type Description

CAS

68681-95-8

Created by admin on Sat Dec 16 08:02:30 GMT 2023 , Edited by admin on Sat Dec 16 08:02:30 GMT 2023

NON-SPECIFIC STOICHIOMETRY

CAS

83043-17-8

Created by admin on Sat Dec 16 08:02:30 GMT 2023 , Edited by admin on Sat Dec 16 08:02:30 GMT 2023

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FDA UNII

41L7L7LGVL

Created by admin on Sat Dec 16 08:02:30 GMT 2023 , Edited by admin on Sat Dec 16 08:02:30 GMT 2023

PRIMARY

PUBCHEM

72941608

Created by admin on Sat Dec 16 08:02:30 GMT 2023 , Edited by admin on Sat Dec 16 08:02:30 GMT 2023

PRIMARY